Geometry & MOs

Info

ID:	352925
PubChem CID:	127284015
Reduced:	SN2O3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	392.176979
ΔH_f, kcal/mol:	-69.93
Dipole, Da:	1.76
IP(EA), eV:	-9.59(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations