Geometry & MOs

Info

ID:	193281
PubChem CID:	78369711
Reduced:	S2N4O4H22C23 (1)
Stoich.:	A2B4C4D22E23 (1)
Weight, g/mol:	324.101111
ΔH_f, kcal/mol:	-23.53
Dipole, Da:	4.52
IP(EA), eV:	-8.83(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-2-(6-methylidene-4-oxoquinazolin-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1CCC2C(C1)OC=C(C2=O)C=C3C(=N)N4C(=NC3=O)SC(=N4)SCC5=CC=CC=C5

DOS

IR

Vibrations