Geometry & MOs

Info

ID:	50988
PubChem CID:	12013594
Reduced:	OSN4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	333.089561
ΔH_f, kcal/mol:	52.99
Dipole, Da:	5.29
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-methylsulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)N/N=C/C2=CC=CC=C2)SC)C

DOS

IR

Vibrations