Geometry & MOs

Info

ID:	418860
PubChem CID:	135106971
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	394.052084
ΔH_f, kcal/mol:	-84.15
Dipole, Da:	7.85
IP(EA), eV:	-8.95(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C)OCC1

DOS

IR

Vibrations