Geometry & MOs

Info

ID:	302388
PubChem CID:	124361554
Reduced:	O3N4C27H36 (1)
Stoich.:	A3B4C27D36 (1)
Weight, g/mol:	508.220951
ΔH_f, kcal/mol:	-120.44
Dipole, Da:	4.99
IP(EA), eV:	-8.8(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-[[2-[[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H](C(C)C)NC(=O)C2CCN(CC2)C(=O)[C@@H](CC3=CC=CC=C3)N

DOS

IR

Vibrations