Geometry & MOs

Info

ID:	73387
PubChem CID:	48417588
Reduced:	SO3N5C16H17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	413.061632
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	5.18
IP(EA), eV:	-9.5(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations