Geometry & MOs

Info

ID:	143241
PubChem CID:	53170579
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-129.76
Dipole, Da:	5.53
IP(EA), eV:	-9.17(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azepan-1-ylsulfonyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C=C(C=CC2=O)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations