Geometry & MOs

Info

ID:	49570
PubChem CID:	11533283
Reduced:	SO2N5C27H33 (1)
Stoich.:	AB2C5D27E33 (1)
Weight, g/mol:	491.061327
ΔH_f, kcal/mol:	-8.1
Dipole, Da:	7.46
IP(EA), eV:	-8.09(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-N-[(1-oxidopyridin-1-ium-4-yl)methyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)N4CCC(CC4)N5CCCC5)N

DOS

IR

Vibrations