Geometry & MOs

Info

ID:	60382
PubChem CID:	26683955
Reduced:	SN2O2C26H28 (1)
Stoich.:	AB2C2D26E28 (1)
Weight, g/mol:	432.187149
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	5.14
IP(EA), eV:	-9.02(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(2S)-2-phenylbutyl]benzamide

Drug info:

PubChemData

Smile

CC[C@@H](CNC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=C(C=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations