Geometry & MOs

Info

ID:	375892
PubChem CID:	134221886
Reduced:	ClFN2O5C31H32 (1)
Stoich.:	ABC2D5E31F32 (1)
Weight, g/mol:	478.96662
ΔH_f, kcal/mol:	-225.78
Dipole, Da:	9.13
IP(EA), eV:	-8.78(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-bromo-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]benzenecarboximidate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations