Geometry & MOs

Info

ID:	193880
PubChem CID:	78450503
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	365.156184
ΔH_f, kcal/mol:	27.81
Dipole, Da:	6.64
IP(EA), eV:	-8.36(-1.64)
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-(3-methylphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=C(C2=NC(=O)C(C=C2C=C1)CCNC(=S)NC3=CC=CC=C3C)C

DOS

IR

Vibrations