Geometry & MOs

Info

ID:	193878
PubChem CID:	78450501
Reduced:	FOSN3C21H22 (1)
Stoich.:	ABCD3E21F22 (1)
Weight, g/mol:	379.171834
ΔH_f, kcal/mol:	-10.47
Dipole, Da:	10.13
IP(EA), eV:	-8.44(-1.65)
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-(2-phenylethyl)thiourea

Drug info:

PubChemData

Smile

CC1=C(C2=NC(=O)C(C=C2C=C1)CCNC(=S)NCC3=CC=C(C=C3)F)C

DOS

IR

Vibrations