Geometry & MOs

Info

ID:	139966
PubChem CID:	52622767
Reduced:	SN3O5C21H33 (1)
Stoich.:	AB3C5D21E33 (1)
Weight, g/mol:	420.244664
ΔH_f, kcal/mol:	-229.42
Dipole, Da:	2.83
IP(EA), eV:	-9.58(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations