Geometry & MOs

Info

ID:	169092
PubChem CID:	75062489
Reduced:	ZnCl2S2N6H26C30 (1)
Stoich.:	AB2C2D6E26F30 (1)
Weight, g/mol:	401.103
ΔH_f, kcal/mol:	147.07
Dipole, Da:	7.42
IP(EA), eV:	-8.93(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4-oxo-3-phenoxychromen-7-yl) pyrrolidin-1-ium-2-carboxylate;chloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3N2.CC1=CC=C(C=C1)NC(=S)C2=NC3=CC=CC=C3N2.[Cl-].[Cl-].[Zn+2]

DOS

IR

Vibrations