Geometry & MOs

Info

ID:

431417

PubChem CID:

135171492

Reduced:

ON3C9H11 (2)

Stoich.:

AB3C9D11 (2)

Weight, g/mol:

666.272132

ΔHf, kcal/mol:

3.11

Dipole, Da:

7.96

IP(EA), eV:

 -8.77(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[6-[[3-[2-chloro-3-[[5-(pyrrolidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]carbamoyl]pyridin-3-yl]methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(NC(=NC2=O)C)N=C1N3CCC(CC3)OC4=CN(N=C4)C

DOS

IR

Vibrations