Geometry & MOs

Info

ID:	336220
PubChem CID:	127255227
Reduced:	ClO2S2N3C17H18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	443.148121
ΔH_f, kcal/mol:	-9.14
Dipole, Da:	3.45
IP(EA), eV:	-8.77(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)SC(=N2)NC(=O)[C@@H](CCSC)N3C=CC=C3)Cl

DOS

IR

Vibrations