Geometry & MOs

Info

ID:	33199
PubChem CID:	7885365
Reduced:	NO3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-228.47
Dipole, Da:	6.43
IP(EA), eV:	-9.4(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations