Geometry & MOs

Info

ID:	137958
PubChem CID:	52291544
Reduced:	OSN2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	327.15311
ΔH_f, kcal/mol:	-0.42
Dipole, Da:	2.67
IP(EA), eV:	-8.5(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)CC(=O)N[C@@H]2CCSC3=CC=CC=C23

DOS

IR

Vibrations