Geometry & MOs

Info

ID:	188435
PubChem CID:	77717336
Reduced:	FO4N5H18C20 (1)
Stoich.:	AB4C5D18E20 (1)
Weight, g/mol:	519.131151
ΔH_f, kcal/mol:	-61.03
Dipole, Da:	1.92
IP(EA), eV:	-8.64(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(benzenesulfonamido)-8-(furan-2-ylmethyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydro-1H-quinazolin-3-yl]butanedioic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2=NC(=NC(=O)C21)NC3=NC4=CC(=C(C=C4C(=N3)CF)OC)OC

DOS

IR

Vibrations