Geometry & MOs

Info

ID:

214964

PubChem CID:

85083929

Reduced:

P3N7O14C18H24 (1)

Stoich.:

A3B7C14D18E24 (1)

Weight, g/mol:

654.17941

ΔHf, kcal/mol:

-682.04

Dipole, Da:

13.7

IP(EA), eV:

 -9.11(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(3-carbamimidoylphenyl)prop-2-enyl-[3-carbamoyl-4-[1-(3,4-dihydro-2H-pyrrol-5-yl)piperidin-4-yl]oxyphenyl]sulfamoyl] acetate;dihydrochloride

Drug info:

PubChemData

Smile

CNC1=CC=CC=C1C(=O)OC2C(OC(C2O)N3C=NC4C3=NC(=NC4=O)N)COP(=O)(O)OP(=O)(NP(=O)(O)O)O

DOS

IR

Vibrations