Geometry & MOs

Info

ID:	376006
PubChem CID:	134222006
Reduced:	BrClOF3N3H26C27 (1)
Stoich.:	ABCD3E3F26G27 (1)
Weight, g/mol:	521.97243
ΔH_f, kcal/mol:	-144.19
Dipole, Da:	5.73
IP(EA), eV:	-8.51(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-2-bromo-4-[(E)-3-(3,4-dichloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)NCC3=CN=C(C=C3)N(C)C)Br)C(F)(F)F

DOS

IR

Vibrations