Geometry & MOs

Info

ID:	143240
PubChem CID:	53170578
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-72.37
Dipole, Da:	5.4
IP(EA), eV:	-9.25(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations