Geometry & MOs

Info

ID:	178535
PubChem CID:	76344031
Reduced:	SN4O5C24H36 (1)
Stoich.:	AB4C5D24E36 (1)
Weight, g/mol:	446.144633
ΔH_f, kcal/mol:	-211.28
Dipole, Da:	6.9
IP(EA), eV:	-9.69(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-2-sulfanylidene-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCC(CC1)CNC(=O)OC(C)(C)C)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations