Geometry & MOs

Info

ID:	42871
PubChem CID:	8150123
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	360.12043
ΔH_f, kcal/mol:	-11.76
Dipole, Da:	3.28
IP(EA), eV:	-9.55(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=NC2=CC=CC=C2C=C1

DOS

IR

Vibrations