Geometry & MOs

Info

ID:	192034
PubChem CID:	78217282
Reduced:	O2S2N3C22H23 (1)
Stoich.:	A2B2C3D22E23 (1)
Weight, g/mol:	371.112605
ΔH_f, kcal/mol:	33.06
Dipole, Da:	2.78
IP(EA), eV:	-8.44(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-[(7-methyl-2-oxo-3H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

C=C1C=CC2=NC(=O)C(=CC2=C1)CN(CC3=CC=CS3)C(=S)NCC4CCCO4

DOS

IR

Vibrations