Geometry & MOs

Info

ID:	149907
PubChem CID:	53789589
Reduced:	NO2S2C12H13 (2)
Stoich.:	AB2C2D12E13 (2)
Weight, g/mol:	337.117489
ΔH_f, kcal/mol:	-89.78
Dipole, Da:	4.41
IP(EA), eV:	-8.87(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)O)NC(=O)C1=C(C=C(C=C1)CSS(=O)NCC2=CC=CS2)C3=CC=CC=C3

DOS

IR

Vibrations