Geometry & MOs

Info

ID:	376215
PubChem CID:	134222225
Reduced:	ON2F3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	487.04534
ΔH_f, kcal/mol:	-148.15
Dipole, Da:	5.52
IP(EA), eV:	-7.9(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-[[2-chloro-4-[(E)-3-chloro-3-(3,4-dichloro-5-methylphenyl)prop-1-enyl]phenyl]methylamino]pent-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(/C=C/C2=CC=C(C=C2)N/C=C/N)(C(F)(F)F)O)C

DOS

IR

Vibrations