Geometry & MOs

Info

ID:

315650

PubChem CID:

126628335

Reduced:

ClNOH16C19 (1)

Stoich.:

ABCD16E19 (1)

Weight, g/mol:

977.377342

ΔHf, kcal/mol:

34.15

Dipole, Da:

4.43

IP(EA), eV:

 -8.1(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[6-[[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]amino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethyl 4-[[4-[(5Z)-3-(ethylcarbamoyl)-5-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)-2H-1,2-oxazol-4-yl]phenyl]methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations