Geometry & MOs

Info

ID:	376021
PubChem CID:	134222021
Reduced:	ClO2N3F4H16C22 (1)
Stoich.:	AB2C3D4E16F22 (1)
Weight, g/mol:	579.01905
ΔH_f, kcal/mol:	-203.57
Dipole, Da:	5.34
IP(EA), eV:	-9.65(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[2-bromo-4-[(E)-3-(3,4-dichloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]benzoyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C/C(C2=CC(=C(C(=C2)Cl)F)N3C=CC(=NC3=O)N)C(F)(F)F)C=O

DOS

IR

Vibrations