Geometry & MOs

Info

ID:	143235
PubChem CID:	53170573
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	-88.3
Dipole, Da:	5.85
IP(EA), eV:	-9.39(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CN(C(=O)C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations