4-{2-[(6-Chloro-5-Nitro-4-Pyrimidinyl)Amino]Ethyl}Benzenesulfonamide

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Properties Simple | Detailed

Formula C12H12ClN5O4S
IUPAC Name 4-[2-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
Molecular Mass 357.773 g·mol−1
Heat of Formation -119.2 ± 16.7 kJ·mol−1
Dipole Moment 4.41 ± 1.08 D
Volume 369.17 Å 3
Surface Area 340.2 Å 2
HOMO Energy -10.17 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
InChIKey XPZIHQXLSDNLNB-UHFFFAOYSA-N
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