Geometry & MOs

Info

ID:	192047
PubChem CID:	78219917
Reduced:	FSN2O5H23C25 (1)
Stoich.:	ABC2D5E23F25 (1)
Weight, g/mol:	477.135842
ΔH_f, kcal/mol:	-128.67
Dipole, Da:	3.76
IP(EA), eV:	-8.7(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-[(7-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]thiourea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CC2C=C3C=C(C=CC3=NC2=O)OC)S(=O)(=O)C4=CC=CC=C4F

DOS

IR

Vibrations