Geometry & MOs

Info

ID:

433639

PubChem CID:

135173779

Reduced:

N7C38H41 (1)

Stoich.:

A7B38C41 (1)

Weight, g/mol:

726.400588

ΔHf, kcal/mol:

161.98

Dipole, Da:

4.8

IP(EA), eV:

 -8.09(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C\C1=C(N=CC(=C1)C=C)CNC2=CC=CC(=C2C)C3=C(C(=CC=C3)NC4=NC=CC5=CC(=CN=C54)C6CCCN6NC)C

DOS

IR

Vibrations