Geometry & MOs

Info

ID:	59939
PubChem CID:	26512226
Reduced:	SN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-55.46
Dipole, Da:	3.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.085474
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide

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