Geometry & MOs

Info

ID:	141501
PubChem CID:	52884829
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	342.175242
ΔH_f, kcal/mol:	-102.55
Dipole, Da:	1.9
IP(EA), eV:	-9.41(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7S)-N-[(2S)-3-(1H-imidazol-3-ium-3-yl)-2-methylpropyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C/C=C/C(=O)O[C@@H](C)C(=O)C1=CC2=C(CCC2)C=C1

DOS

IR

Vibrations