Geometry & MOs

Info

ID:	156714
PubChem CID:	56371880
Reduced:	SN3O4C24H37 (1)
Stoich.:	AB3C4D24E37 (1)
Weight, g/mol:	477.266128
ΔH_f, kcal/mol:	-173.81
Dipole, Da:	3.37
IP(EA), eV:	-8.84(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylsulfonyl)-N-(1-cycloheptylpyrrolidin-3-yl)-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CCN(C3)C4CCCCCC4

DOS

IR

Vibrations