Geometry & MOs

Info

ID:

426533

PubChem CID:

135145591

Reduced:

ClFSO3N4H22C31 (1)

Stoich.:

ABCD3E4F22G31 (1)

Weight, g/mol:

708.293929

ΔHf, kcal/mol:

-29.93

Dipole, Da:

6.71

IP(EA), eV:

 -9.08(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[2-chloro-3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC(=C3)C(=O)NCC4=CC=CC=C4)C5=CC6=C(C=CN=C6C(=C5)F)Cl

DOS

IR

Vibrations