Geometry & MOs

Info

ID:	67418
PubChem CID:	46506443
Reduced:	S2N3O3C20H23 (1)
Stoich.:	A2B3C3D20E23 (1)
Weight, g/mol:	347.076219
ΔH_f, kcal/mol:	-97.22
Dipole, Da:	5.19
IP(EA), eV:	-8.77(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-oxo-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-3-yl)-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)CCCCN2C(=O)C3=C(C4=CC=CC=C4S3)NC2=S

DOS

IR

Vibrations