Geometry & MOs

Info

ID:	39018
PubChem CID:	8138362
Reduced:	S2N3O3C19H23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	405.118084
ΔH_f, kcal/mol:	-84.14
Dipole, Da:	7.49
IP(EA), eV:	-9.37(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N([C@@H]2CCS(=O)(=O)C2)C(=O)CSC3=NC=NC4=CC=CC=C43

DOS

IR

Vibrations