Geometry & MOs

Info

ID:

432390

PubChem CID:

135172523

Reduced:

Cl2O2N8C33H38 (1)

Stoich.:

A2B2C8D33E38 (1)

Weight, g/mol:

715.324895

ΔHf, kcal/mol:

-8.09

Dipole, Da:

4.47

IP(EA), eV:

 -8.77(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[2-chloro-3-[3-[[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1-methyl-2H-pyridine-3-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCCN1CCC2=C(C1)N=C(N2C)C(=O)NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)CC)Cl

DOS

IR

Vibrations