Geometry & MOs

Info

ID:	176575
PubChem CID:	76067933
Reduced:	O5N6C23H32 (1)
Stoich.:	A5B6C23D32 (1)
Weight, g/mol:	428.169585
ΔH_f, kcal/mol:	-150.7
Dipole, Da:	7.14
IP(EA), eV:	-9.08(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-carboxy-2-[3-(4-imidazol-1-ylphenyl)prop-2-enoylamino]propanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C=NN)CNC(=O)CC(C(=O)N(CC(=O)O)C2CC2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations