Geometry & MOs

Info

ID:	50992
PubChem CID:	12013599
Reduced:	SO2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	318.115047
ΔH_f, kcal/mol:	18.36
Dipole, Da:	10.98
IP(EA), eV:	-8.87(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NNC=C2C=CC(=O)C=C2)SC)C

DOS

IR

Vibrations