Geometry & MOs

Info

ID:	192731
PubChem CID:	78305748
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	463.229348
ΔH_f, kcal/mol:	-14.09
Dipole, Da:	6.58
IP(EA), eV:	-8.75(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-1-[(6,8-dimethyl-2-oxo-3H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)thiourea

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC=C1C2C3C(NC(NC3=O)N)NC4=C2C(=O)C5=CC=CC=C54

DOS

IR

Vibrations