Geometry & MOs

Info

ID:	301912
PubChem CID:	123100441
Reduced:	ClSN2O3C18H19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	476.143964
ΔH_f, kcal/mol:	-84.28
Dipole, Da:	2.44
IP(EA), eV:	-9.06(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[2-(benzylamino)-2-oxoethyl]sulfinylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1Cl)S(=O)CC(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations