Geometry & MOs

Info

ID:	340002
PubChem CID:	127262011
Reduced:	O3N8C17H26 (1)
Stoich.:	A3B8C17D26 (1)
Weight, g/mol:	438.212787
ΔH_f, kcal/mol:	-84.34
Dipole, Da:	1.68
IP(EA), eV:	-9.4(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-amino-2-oxoethyl)-2-[[(2S)-2-aminopropanoyl]amino]-N-[bis(1H-imidazol-2-yl)methyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N(CC(=O)N)C(C1=NC=CN1)C2=NC=CN2)NC(=O)CN

DOS

IR

Vibrations