Geometry & MOs

Info

ID:	33195
PubChem CID:	7885359
Reduced:	SO3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	360.125612
ΔH_f, kcal/mol:	-44.1
Dipole, Da:	5.25
IP(EA), eV:	-8.62(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NC4=NOC(=C4)C

DOS

IR

Vibrations