Geometry & MOs

Info

ID:

433656

PubChem CID:

135173796

Reduced:

ClON9C33H34 (1)

Stoich.:

ABC9D33E34 (1)

Weight, g/mol:

747.341214

ΔHf, kcal/mol:

85.95

Dipole, Da:

2.05

IP(EA), eV:

 -8.55(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[[2-chloro-3-[2-methyl-3-[[7-(pyrrolidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1-methylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=NC3=C2N=CC(=C3)CN4CCCC4)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCNC7)Cl

DOS

IR

Vibrations