Geometry & MOs

Info

ID:	135016
PubChem CID:	51798402
Reduced:	ClN2O4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	428.223056
ΔH_f, kcal/mol:	-159.37
Dipole, Da:	5.41
IP(EA), eV:	-8.66(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-1-(butylamino)-1-oxo-3-phenylbutan-2-yl]-N-(3-chlorophenyl)pentanamide

Drug info:

PubChemData

Smile

CCC(=O)N(C1=CC(=CC=C1)Cl)[C@H](C2=CC(=C(C=C2)O)OC)C(=O)NC(C)(C)C

DOS

IR

Vibrations