Geometry & MOs

Info

ID:	123073
PubChem CID:	50831992
Reduced:	N3O3C26H33 (1)
Stoich.:	A3B3C26D33 (1)
Weight, g/mol:	484.178041
ΔH_f, kcal/mol:	-104.23
Dipole, Da:	8.19
IP(EA), eV:	-8.8(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N,1-dimethyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=NC=C(C=C3)NC(=O)CC4CCCCC4

DOS

IR

Vibrations