Geometry & MOs

Info

ID:	143238
PubChem CID:	53170576
Reduced:	SN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	374.166414
ΔH_f, kcal/mol:	-107.27
Dipole, Da:	5.93
IP(EA), eV:	-9.34(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azepan-1-ylsulfonyl)-1-[(3,4-dimethylphenyl)methyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations