Geometry & MOs

Info

ID:

426552

PubChem CID:

135146631

Reduced:

Cl2O5N8C42H50 (1)

Stoich.:

A2B5C8D42E50 (1)

Weight, g/mol:

742.335794

ΔHf, kcal/mol:

-156.9

Dipole, Da:

7.29

IP(EA), eV:

 -8.83(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(CN(CC2)CC3CCC(CC3)C(=O)O)N=C1C(=O)NC4=CC=CC(=C4Cl)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCN(C7)C8CCC(CC8)O)Cl

DOS

IR

Vibrations