Geometry & MOs

Info

ID:	134962
PubChem CID:	51790095
Reduced:	ClN2O2C27H29 (1)
Stoich.:	AB2C2D27E29 (1)
Weight, g/mol:	448.191756
ΔH_f, kcal/mol:	-47.11
Dipole, Da:	4.36
IP(EA), eV:	-9.03(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=C(C=C(C=C1)C)C)N(C2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations