Geometry & MOs

Info

ID:	222639
PubChem CID:	85305674
Reduced:	NSO3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	385.117021
ΔH_f, kcal/mol:	-103.8
Dipole, Da:	4.01
IP(EA), eV:	-9.07(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[3,2-e][1]benzothiole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC3CCC(C2CO)N3S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations