Geometry & MOs

Info

ID:	36774
PubChem CID:	8012541
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-163.84
Dipole, Da:	5.03
IP(EA), eV:	-8.82(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-3-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC[C@@H]2COC3=CC=CC=C3O2

DOS

IR

Vibrations