Geometry & MOs

Info

ID:	143236
PubChem CID:	53170574
Reduced:	SN2O3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	-97.7
Dipole, Da:	5.88
IP(EA), eV:	-9.55(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azepan-1-ylsulfonyl)-1-[(3-methylphenyl)methyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C=C(C=CC2=O)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations