Geometry & MOs

Info

ID:	193022
PubChem CID:	78337558
Reduced:	S2N3O3H17C18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	515.182313
ΔH_f, kcal/mol:	22.44
Dipole, Da:	4.42
IP(EA), eV:	-8.81(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methoxyphenyl)-[2-(3,4-dimethoxyphenyl)-1-(3-imidazolidin-1-ium-1-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=NC(=O)C3C(=N2)N(C(=S)S3)CC=C)OCC=C

DOS

IR

Vibrations