Geometry & MOs

Info

ID:	414531
PubChem CID:	135087490
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	373.076613
ΔH_f, kcal/mol:	-102.68
Dipole, Da:	5.28
IP(EA), eV:	-8.54(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)N2CCC[C@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations