Geometry & MOs

Info

ID:	394847
PubChem CID:	135023941
Reduced:	OSN2C22H22 (1)
Stoich.:	ABC2D22E22 (1)
Weight, g/mol:	379.1606
ΔH_f, kcal/mol:	28.05
Dipole, Da:	7.01
IP(EA), eV:	-9.06(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylphenyl)-N-(2-methylsulfanylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1NC(=O)C2C3CCC(C3)C2C4=CC=C(C=C4)C#N

DOS

IR

Vibrations