Geometry & MOs

Info

ID:	66026
PubChem CID:	46488157
Reduced:	SN2O2C7H9 (2)
Stoich.:	AB2C2D7E9 (2)
Weight, g/mol:	348.135304
ΔH_f, kcal/mol:	-89.26
Dipole, Da:	3.69
IP(EA), eV:	-9.24(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N'-(3-chlorobenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CSCC(=O)NC(C)C2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations