Geometry & MOs

Info

ID:

375996

PubChem CID:

134221995

Reduced:

ClNOC27H28 (1)

Stoich.:

ABCD27E28 (1)

Weight, g/mol:

774.11372

ΔHf, kcal/mol:

-8.8

Dipole, Da:

2.94

IP(EA), eV:

 -9.17(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(E)-3-[3,5-bis(4-amino-2-oxopyrimidin-1-yl)-4-methylphenyl]-4,4,4-trifluorobut-1-enyl]-2-bromo-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=C(C=C(C=C2)/C=C/C(C)C3=CC(=CC(=C3)C)Cl)C

DOS

IR

Vibrations