Geometry & MOs

Info

ID:	135278
PubChem CID:	51845509
Reduced:	N2O4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	458.256943
ΔH_f, kcal/mol:	-105.86
Dipole, Da:	3.34
IP(EA), eV:	-9.09(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-tert-butyl-2-(N-[(2S)-2-methoxy-2-phenylacetyl]anilino)-3-phenylbutanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=CC=C1O)N(C2=CC=CC=C2)C(=O)[C@H](C3=CC=CC=C3)OC

DOS

IR

Vibrations