Geometry & MOs

Info

ID:	192740
PubChem CID:	78307456
Reduced:	SN3O4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	537.139213
ΔH_f, kcal/mol:	-54.35
Dipole, Da:	8.23
IP(EA), eV:	-8.53(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(6-oxo-7H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=S)N(CC2C=C3C=C4C(=CC3=NC2=O)OCO4)C5CCCC5

DOS

IR

Vibrations