Geometry & MOs

Info

ID:	243744
PubChem CID:	99234551
Reduced:	SN3O3C23H33 (1)
Stoich.:	AB3C3D23E33 (1)
Weight, g/mol:	381.262757
ΔH_f, kcal/mol:	-133.72
Dipole, Da:	3.8
IP(EA), eV:	-8.54(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[(2S)-2-acetamido-2-cyclopentylacetyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)N3CCC[C@H](C3)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations