Geometry & MOs

Info

ID:	164844
PubChem CID:	74461564
Reduced:	SN2O6C21H24 (1)
Stoich.:	AB2C6D21E24 (1)
Weight, g/mol:	422.13521
ΔH_f, kcal/mol:	-209.88
Dipole, Da:	7.47
IP(EA), eV:	-8.35(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6,7-dimethoxy-2-[2-(4-oxoquinazolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=CC=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations