Geometry & MOs

Info

ID:	59942
PubChem CID:	26512229
Reduced:	SN2O5C17H26 (1)
Stoich.:	AB2C5D17E26 (1)
Weight, g/mol:	371.164068
ΔH_f, kcal/mol:	-193.14
Dipole, Da:	6.45
IP(EA), eV:	-8.49(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methyl-methyl-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations