Geometry & MOs

Info

ID:	33197
PubChem CID:	7885362
Reduced:	NO3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-225.19
Dipole, Da:	10.07
IP(EA), eV:	-9.73(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

DOS

IR

Vibrations