Geometry & MOs

Info

ID:	50990
PubChem CID:	12013596
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	322.06551
ΔH_f, kcal/mol:	52.54
Dipole, Da:	3.99
IP(EA), eV:	-7.92(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations