Geometry & MOs

Info

ID:	137957
PubChem CID:	52291543
Reduced:	OSN2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	326.145285
ΔH_f, kcal/mol:	17.22
Dipole, Da:	4.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793309
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl(methyl)amino]-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations