Geometry & MOs

Info

ID:	391017
PubChem CID:	135002251
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	579.294451
ΔH_f, kcal/mol:	-131.69
Dipole, Da:	4.2
IP(EA), eV:	-8.35(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-5-[[(3R)-1-(cyclohexen-1-ylamino)-1-oxo-3-phenylmethoxybutan-2-yl]-methylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations