Geometry & MOs

Info

ID:	371287
PubChem CID:	127345468
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	-167.87
Dipole, Da:	10.37
IP(EA), eV:	-9.12(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(oxolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CC2CCOC2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations