Geometry & MOs

Info

ID:	73171
PubChem CID:	48417143
Reduced:	SO3N5H13C14 (1)
Stoich.:	AB3C5D13E14 (1)
Weight, g/mol:	287.101839
ΔH_f, kcal/mol:	8.91
Dipole, Da:	6.02
IP(EA), eV:	-9.48(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-amino-4-cyanopyrazol-1-yl)-4-oxobutyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations