Geometry & MOs

Info

ID:	36956
PubChem CID:	8015345
Reduced:	NO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	417.124609
ΔH_f, kcal/mol:	-88.43
Dipole, Da:	4.58
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[3-(2-methoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-methoxyacetate

Drug info:

PubChemData

Smile

COCC(=O)O[C@H](C1=CC=CC=C1)C(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations