Geometry & MOs

Info

ID:

433655

PubChem CID:

135173795

Reduced:

SN4O4C23H24 (1)

Stoich.:

AB4C4D23E24 (1)

Weight, g/mol:

607.257484

ΔHf, kcal/mol:

-85.67

Dipole, Da:

5.3

IP(EA), eV:

 -8.6(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-methyl-3-[[7-(pyrrolidin-1-ylmethyl)pyrido[3,2-d]pyrimidin-4-yl]amino]phenyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC=C1NC(=O)NC2=CC(=CC=C2)NSC3=C(C=CC(=C3)C(=O)O)OC

DOS

IR

Vibrations