Geometry & MOs

Info

ID:	152777
PubChem CID:	56311845
Reduced:	SN2O5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	401.104542
ΔH_f, kcal/mol:	-139.46
Dipole, Da:	5.19
IP(EA), eV:	-8.89(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C1=O)C=C(C=C2)S(=O)(=O)N3CCC(C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations