Geometry & MOs

Info

ID:	376222
PubChem CID:	134222232
Reduced:	FNC7H8 (3)
Stoich.:	ABC7D8 (3)
Weight, g/mol:	559.96293
ΔH_f, kcal/mol:	-109.58
Dipole, Da:	5.1
IP(EA), eV:	-7.64(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[4-(4-amino-2-oxopyrimidin-1-yl)-3,5-dichlorophenyl]-4,4,4-trifluorobut-1-enyl]-2-bromobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(/C=C/C2=CC(=C(C=C2)NC=CN)NC)C(F)(F)F)C

DOS

IR

Vibrations