Geometry & MOs

Info

ID:	176211
PubChem CID:	76011314
Reduced:	SN3O4C14H19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	634.437253
ΔH_f, kcal/mol:	-90.05
Dipole, Da:	10.47
IP(EA), eV:	-9.49(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-2-yl]methyl icosa-5,8,11,14,17-pentaenoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)S(=O)(=O)C(C)C=C(C)C=CC(=O)NO)C

DOS

IR

Vibrations