N~2~-[(4-Bromo-1H-Pyrrol-2-Yl)Carbonyl]-L-Arginine

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Properties Simple | Detailed

Formula C11H16BrN5O3
IUPAC Name (2s)-2-[(4-bromopyrrol-1-ium-2-ylium-2-carbonyl)amino]-5-guanidino-pentanoic acid
Molecular Mass 346.180 g·mol−1
Heat of Formation -399.2 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 348.59 Å 3
Surface Area 327.58 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
InChIKey XKZWFCSLAIKGBT-ZETCQYMHSA-N
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Elements H C O Br N