Geometry & MOs

Info

ID:	73034
PubChem CID:	48416856
Reduced:	SO3N5H17C19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	308.127326
ΔH_f, kcal/mol:	-7.61
Dipole, Da:	9.65
IP(EA), eV:	-9.2(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N)C

DOS

IR

Vibrations