Geometry & MOs

Info

ID:	73252
PubChem CID:	48417283
Reduced:	OSN4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	348.104482
ΔH_f, kcal/mol:	35.22
Dipole, Da:	6.74
IP(EA), eV:	-9.24(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2-benzhydrylsulfanylacetyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCCC1=C(C=C(S1)C(=O)N2C(=C(C=N2)C#N)N)CC

DOS

IR

Vibrations