Geometry & MOs

Info

ID:	193876
PubChem CID:	78450109
Reduced:	NO4C24H28 (1)
Stoich.:	AB4C24D28 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-114.46
Dipole, Da:	2.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.120855
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1CCC(C2)C(C)C(=O)NCC3=CC=CC=C3)C)OCC(=O)[O-]

DOS

IR

Vibrations