Geometry & MOs

Info

ID:	73154
PubChem CID:	48417108
Reduced:	OS2N4H14C15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	337.063346
ΔH_f, kcal/mol:	63.25
Dipole, Da:	4.63
IP(EA), eV:	-8.87(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-4-cyanopyrazole-1-carbonyl)phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CSC(SC1)C2=CC=C(C=C2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations