Geometry & MOs

Info

ID:	26589
PubChem CID:	792300
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	309.060569
ΔH_f, kcal/mol:	-95.63
Dipole, Da:	2.7
IP(EA), eV:	-8.59(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCCN(C1)CC2=C(C=CC(=C2)C)C

DOS

IR

Vibrations