Geometry & MOs

Info

ID:	176323
PubChem CID:	76033764
Reduced:	SO9H30C32 (1)
Stoich.:	AB9C30D32 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-285.81
Dipole, Da:	9.61
IP(EA), eV:	-8.77(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-4a,5,6,7,8,8a-hexahydro-1H-quinazolin-3-yl)-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=C2C4(COC5=C(C4O3)C=CC(=C5)OCC6=CC=CC=C6)O)OCCCO

DOS

IR

Vibrations