Geometry & MOs

Info

ID:	192033
PubChem CID:	78217258
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	425.123169
ΔH_f, kcal/mol:	-22.5
Dipole, Da:	11.83
IP(EA), eV:	-8.48(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-methylidene-2-oxoquinolin-3-yl)methyl]-3-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

CNC(=S)N(CC1C=C2C=CC(=CC2=NC1=O)OC)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations