Geometry & MOs

Info

ID:	37239
PubChem CID:	8018619
Reduced:	SN2O5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	326.093643
ΔH_f, kcal/mol:	-162.24
Dipole, Da:	7.63
IP(EA), eV:	-9.23(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](C2=CC=CC=C2C1)NC(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations