Geometry & MOs

Info

ID:	193093
PubChem CID:	78341895
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	387.080826
ΔH_f, kcal/mol:	-119.18
Dipole, Da:	6.62
IP(EA), eV:	-9.62(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chlorophenyl)methyl]-6-morpholin-4-yl-2-sulfanylidene-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CCCCCN2C(=O)C3C(=NC2=O)C=CS3

DOS

IR

Vibrations