Geometry & MOs

Info

ID:	166467
PubChem CID:	74693855
Reduced:	NO4C20H27 (1)
Stoich.:	AB4C20D27 (1)
Weight, g/mol:	396.174573
ΔH_f, kcal/mol:	-150.62
Dipole, Da:	1.5
IP(EA), eV:	-9.59(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(2-amino-2-oxoethyl)sulfanyl-5-cyclohexyl-5-ethyl-6H-benzo[h]quinazolin-4-olate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2CC3CC2C=C3

DOS

IR

Vibrations