Geometry & MOs

Info

ID:	194421
PubChem CID:	78533910
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-161.55
Dipole, Da:	2.5
IP(EA), eV:	-9.21(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylamino)-2-oxoethyl] 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3

DOS

IR

Vibrations