Geometry & MOs

Info

ID:	59938
PubChem CID:	26512224
Reduced:	SN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	349.158589
ΔH_f, kcal/mol:	-56.8
Dipole, Da:	4.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.948324
Charge, e:	1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CS1)NC(=O)C[NH+](C)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations