Geometry & MOs

Info

ID:	143239
PubChem CID:	53170577
Reduced:	SN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	-107.32
Dipole, Da:	7.13
IP(EA), eV:	-9.46(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations