Geometry & MOs

Info

ID:	192032
PubChem CID:	78216857
Reduced:	FSO2N4C23H35 (1)
Stoich.:	ABC2D4E23F35 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-125.2
Dipole, Da:	9.46
IP(EA), eV:	-8.32(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-methoxy-2-oxo-3H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]-3-methylthiourea

Drug info:

PubChemData

Smile

CCOC1CCC2C(C1)CC(C(=O)N2)CN(CCN(C)C)C(=S)NC3=CC=C(C=C3)F

DOS

IR

Vibrations