Geometry & MOs

Info

ID:	39017
PubChem CID:	8138361
Reduced:	SO2N3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	405.118084
ΔH_f, kcal/mol:	-9.84
Dipole, Da:	2.36
IP(EA), eV:	-9.14(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-quinazolin-4-ylsulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCC(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations