Geometry & MOs

Info

ID:	167037
PubChem CID:	74770401
Reduced:	OSN5C22H25 (1)
Stoich.:	ABC5D22E25 (1)
Weight, g/mol:	400.163436
ΔH_f, kcal/mol:	41.34
Dipole, Da:	3.86
IP(EA), eV:	-8.85(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)ethyl 2-(2-oxochromen-7-yl)oxyacetate

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1N2C(=NN=C2SC3CCCCNC3=O)C4=CN=CC=C4

DOS

IR

Vibrations