Geometry & MOs

Info

ID:	59941
PubChem CID:	26512228
Reduced:	SN2O5C17H27 (1)
Stoich.:	AB2C5D17E27 (1)
Weight, g/mol:	370.156243
ΔH_f, kcal/mol:	-174.41
Dipole, Da:	8.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.973236
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@]1(CCS(=O)(=O)C1)NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations