Geometry & MOs

Info

ID:	35227
PubChem CID:	7979540
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	378.119127
ΔH_f, kcal/mol:	-196.91
Dipole, Da:	2.68
IP(EA), eV:	-8.94(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations