Geometry & MOs

Info

ID:	139967
PubChem CID:	52622768
Reduced:	SN2O3C23H36 (1)
Stoich.:	AB2C3D23E36 (1)
Weight, g/mol:	420.244664
ΔH_f, kcal/mol:	-175.58
Dipole, Da:	4.3
IP(EA), eV:	-8.96(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CCC2=C(C1)C=C(S2)C(=O)N3CCC(CC3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations