Geometry & MOs

Info

ID:	433826
PubChem CID:	135173969
Reduced:	NC14H29 (1)
Stoich.:	AB14C29 (1)
Weight, g/mol:	358.171499
ΔH_f, kcal/mol:	-58.02
Dipole, Da:	1.52
IP(EA), eV:	-8.42(3.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,4S)-5-[3-[3-(2-methylprop-2-enoyl)phenyl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanethioic S-acid

Drug info:

PubChemData

Smile

CC(C)C1CCN(CC1)CCC(C)(C)C

DOS

IR

Vibrations