Geometry & MOs

Info

ID:

376205

PubChem CID:

134222212

Reduced:

ClNSO2F5H17C21 (1)

Stoich.:

ABCD2E5F17G21 (1)

Weight, g/mol:

605.236222

ΔHf, kcal/mol:

-277.67

Dipole, Da:

6.19

IP(EA), eV:

 -8.78(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[4-[(E)-3-[3,4-bis(4-amino-2-oxopyrimidin-1-yl)-5-methylphenyl]but-1-enyl]-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)NC3CS(=O)C3)F)C(F)(F)F

DOS

IR

Vibrations