Geometry & MOs

Info

ID:	154796
PubChem CID:	56314321
Reduced:	ClNOC20H22 (1)
Stoich.:	ABCD20E22 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-8.07
Dipole, Da:	3.61
IP(EA), eV:	-9.37(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-3-methyl-1-oxo-1-(3-phenylbutylamino)butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1CC1C2=CC=CC=C2Cl)C3=CC=CC=C3

DOS

IR

Vibrations