Geometry & MOs

Info

ID:

426551

PubChem CID:

135146422

Reduced:

N5O6C14H19 (1)

Stoich.:

A5B6C14D19 (1)

Weight, g/mol:

816.328122

ΔHf, kcal/mol:

-193.79

Dipole, Da:

5.93

IP(EA), eV:

 -9.82(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-chloro-3-[2-chloro-3-[[5-(4-hydroxycyclohexyl)-1-methyl-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]pyridin-5-yl]methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(C(=O)N1CCCC12CN(C2=O)CC3=NN=CO3)NC(=O)O)O

DOS

IR

Vibrations