Geometry & MOs

Info

ID:	143946
PubChem CID:	53285795
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	430.192629
ΔH_f, kcal/mol:	-126.56
Dipole, Da:	2.94
IP(EA), eV:	-9.09(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylsulfonyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)OC

DOS

IR

Vibrations