Geometry & MOs

Info

ID:	193877
PubChem CID:	78450399
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	383.146762
ΔH_f, kcal/mol:	1.86
Dipole, Da:	5.24
IP(EA), eV:	-8.42(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]thiourea

Drug info:

PubChemData

Smile

CC1=CC2=NC(=O)C(C=C2C=C1)CCNC(=S)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations