Geometry & MOs

Info

ID:	192035
PubChem CID:	78217306
Reduced:	OS2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	459.181433
ΔH_f, kcal/mol:	47.06
Dipole, Da:	5.16
IP(EA), eV:	-8.39(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5,7-dimethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

CCNC(=S)N(CC1C=C2C=CC(=CC2=NC1=O)C)CC3=CC=CS3

DOS

IR

Vibrations