Geometry & MOs

Info

ID:	151362
PubChem CID:	53801138
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	526.265216
ΔH_f, kcal/mol:	-98.98
Dipole, Da:	4.3
IP(EA), eV:	-9.07(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1(CC(=NOC(=O)NC2CCCCC2)CC(N1)(C)C)C

DOS

IR

Vibrations