Geometry & MOs

Info

ID:	195018
PubChem CID:	78622087
Reduced:	NSO3C17H25 (1)
Stoich.:	ABC3D17E25 (1)
Weight, g/mol:	353.16608
ΔH_f, kcal/mol:	-146.7
Dipole, Da:	7.77
IP(EA), eV:	-9.31(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)COC(=O)C1=CC2=C(S1)CCC(C2)C

DOS

IR

Vibrations