Geometry & MOs

Info

ID:	135162
PubChem CID:	51827162
Reduced:	ClNOC13H17 (2)
Stoich.:	ABCD13E17 (2)
Weight, g/mol:	476.199734
ΔH_f, kcal/mol:	-100.93
Dipole, Da:	5.26
IP(EA), eV:	-9.27(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-N-butyl-2-[tert-butyl-[2-(2,3-dichlorophenyl)acetyl]amino]-3-phenylbutanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H]([C@H](C)C1=CC=CC=C1)N(C(=O)CC2=C(C(=CC=C2)Cl)Cl)C(C)(C)C

DOS

IR

Vibrations