Geometry & MOs

Info

ID:	35722
PubChem CID:	7980244
Reduced:	SN2O5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	403.108959
ΔH_f, kcal/mol:	-126.82
Dipole, Da:	4.96
IP(EA), eV:	-8.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations