Geometry & MOs

Info

ID:	192735
PubChem CID:	78306822
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	399.143905
ΔH_f, kcal/mol:	-78.46
Dipole, Da:	5.24
IP(EA), eV:	-9.03(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-[(8-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(CC3CCCO3)C(=O)NC4CCCCC4

DOS

IR

Vibrations