Geometry & MOs

Info

ID:	193254
PubChem CID:	78365165
Reduced:	SN5O5C22H23 (1)
Stoich.:	AB5C5D22E23 (1)
Weight, g/mol:	396.089226
ΔH_f, kcal/mol:	-138.0
Dipole, Da:	2.47
IP(EA), eV:	-9.31(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-[(4-oxo-4aH-quinazolin-2-yl)sulfanylmethyl]-6H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCCN1C(C(C(=O)NC1=O)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)N

DOS

IR

Vibrations