Geometry & MOs

Info

ID:	243739
PubChem CID:	99234486
Reduced:	SN3O5C19H35 (1)
Stoich.:	AB3C5D19E35 (1)
Weight, g/mol:	374.220557
ΔH_f, kcal/mol:	-269.82
Dipole, Da:	1.66
IP(EA), eV:	-9.3(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N2CCC[C@@H](C2)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations