Geometry & MOs

Info

ID:	225869
PubChem CID:	87235839
Reduced:	SN4O4H22C24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-69.45
Dipole, Da:	1.63
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[2-(3-aminophenyl)phenyl]-N-(cyanomethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNN2C3=CC=CC=C3C(=O)/C(=C/4\NC5=CC=CC=C5S(N4)(O)O)/C2=O

DOS

IR

Vibrations