Geometry & MOs

Info

ID:	50993
PubChem CID:	12013600
Reduced:	SO2N4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	302.120132
ΔH_f, kcal/mol:	11.93
Dipole, Da:	6.45
IP(EA), eV:	-8.38(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]-5-methylsulfanylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations