Geometry & MOs

Info

ID:	375974
PubChem CID:	134221973
Reduced:	ClFNO5C33H35 (1)
Stoich.:	ABCD5E33F35 (1)
Weight, g/mol:	500.14784
ΔH_f, kcal/mol:	-247.46
Dipole, Da:	9.59
IP(EA), eV:	-8.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenyl]-2-formyl-N-methylbenzohydrazide

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C3=C(C(=CC=C3)Cl)C)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations