Geometry & MOs

Info

ID:	378655
PubChem CID:	134224749
Reduced:	NSH13C22 (1)
Stoich.:	ABC13D22 (1)
Weight, g/mol:	284.119464
ΔH_f, kcal/mol:	96.06
Dipole, Da:	2.76
IP(EA), eV:	-8.08(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-2,2-dimethyl-3-[(3Z,5E)-5-sulfamoylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2NC4=C3C=C5C(=C4)C6=CC=CC=C6S5

DOS

IR

Vibrations