Geometry & MOs

Info

ID:

433619

PubChem CID:

135173759

Reduced:

O2N7C39H43 (1)

Stoich.:

A2B7C39D43 (1)

Weight, g/mol:

707.309914

ΔHf, kcal/mol:

18.02

Dipole, Da:

9.75

IP(EA), eV:

 -7.95(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 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]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CCCC4)C5=C(C(=CC=C5)NC(=O)C6=CC(=CN(C6=O)C)CN7CCCC7)C

DOS

IR

Vibrations