Geometry & MOs

Info

ID:	193882
PubChem CID:	78450505
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	395.143426
ΔH_f, kcal/mol:	22.36
Dipole, Da:	7.67
IP(EA), eV:	-8.43(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-3-[2-(7-methoxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)ethyl]thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NCCC2C=C3C=CC(=C(C3=NC2=O)C)C

DOS

IR

Vibrations