Geometry & MOs

Info

ID:	60383
PubChem CID:	26683956
Reduced:	SN2O2C26H28 (1)
Stoich.:	AB2C2D26E28 (1)
Weight, g/mol:	443.166748
ΔH_f, kcal/mol:	-34.45
Dipole, Da:	5.36
IP(EA), eV:	-8.67(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[(2R)-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