Geometry & MOs

Info

ID:	42032
PubChem CID:	8148198
Reduced:	SO2N4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	349.169822
ΔH_f, kcal/mol:	-2.95
Dipole, Da:	2.48
IP(EA), eV:	-8.63(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-acetamidoethyl-[(1R)-1-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethyl]azanium

Drug info:

PubChemData

Smile

CN(CC1=NC2=C(C3=C(S2)CCC3)C(=O)N1)CC(=O)NC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations