Geometry & MOs

Info

ID:	80586
PubChem CID:	49835306
Reduced:	SN4O4C25H32 (1)
Stoich.:	AB4C4D25E32 (1)
Weight, g/mol:	416.036434
ΔH_f, kcal/mol:	-114.15
Dipole, Da:	8.82
IP(EA), eV:	-8.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4S)-N-(1-cyanocyclopropyl)-4-(2,4-dichlorophenyl)sulfonyl-2-methoxycyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C2=C(C(=C1)C3=CC=CNC3=O)N=CC(=C2)C([C@H]4CCNC4)NS(=O)(=O)C)OC

DOS

IR

Vibrations