Geometry & MOs

Info

ID:	195017
PubChem CID:	78622086
Reduced:	NSO4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	323.155515
ΔH_f, kcal/mol:	-131.97
Dipole, Da:	3.59
IP(EA), eV:	-9.06(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C3=CC4=C(C=C3)NC(=O)C4C

DOS

IR

Vibrations