Geometry & MOs

Info

ID:	74647
PubChem CID:	48422231
Reduced:	SN2O4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	-152.9
Dipole, Da:	4.76
IP(EA), eV:	-8.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)OCC2CC2)C

DOS

IR

Vibrations