Geometry & MOs

Info

ID:

229085

PubChem CID:

87566919

Reduced:

PSF2N2O10C32H39 (1)

Stoich.:

ABC2D2E10F32G39 (1)

Weight, g/mol:

520.06419

ΔHf, kcal/mol:

-541.82

Dipole, Da:

3.13

IP(EA), eV:

 -9.35(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[5-carbamoyl-4-[1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[4,5-c]pyridin-6-yl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=CC=C(C=C1)CC(C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O)NS(=O)(=O)C3=CC=CC=C3)(F)F)O

DOS

IR

Vibrations