Geometry & MOs

Info

ID:	66076
PubChem CID:	46491024
Reduced:	Cl2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	447.143962
ΔH_f, kcal/mol:	-46.04
Dipole, Da:	3.7
IP(EA), eV:	-9.24(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrrolidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)cyclohexanecarbonyl]benzohydrazide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=N1)NC(=O)COC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations