N-[[4-(5-Bromopyrimidine-1,3-Diium-5-Id-2-Yl)Sulfanylphenyl]Carbamoyl]-2-Nitro-Benzamide

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Properties Simple | Detailed

Formula C18H13BrN5O4S
IUPAC Name n-[[4-(5-bromopyrimidine-1,3-diium-5-id-2-yl)sulfanylphenyl]carbamoyl]-2-nitro-benzamide
Molecular Mass 475.296 g·mol−1
Heat of Formation 78.7 ± 16.7 kJ·mol−1
Dipole Moment 7.72 ± 1.08 D
Volume 457.65 Å 3
Surface Area 413.19 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 1.28 ± eV
Point Group Symmetry C1
InChIKey ALBUSRBMOPEVJS-UHFFFAOYSA-N
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Elements C H O N S Br