Geometry & MOs

Info

ID:

433926

PubChem CID:

135174073

Reduced:

ClSO2N7C33H34 (1)

Stoich.:

ABC2D7E33F34 (1)

Weight, g/mol:

760.361615

ΔHf, kcal/mol:

39.95

Dipole, Da:

4.27

IP(EA), eV:

 -8.5(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-chloro-3-[2-methyl-3-[[3-[[(3R)-3-methylpyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)N=C(N2C)C(=O)NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)COSC)C

DOS

IR

Vibrations