Geometry & MOs

Info

ID:	188184
PubChem CID:	77679979
Reduced:	NOSC17H23 (1)
Stoich.:	ABCD17E23 (1)
Weight, g/mol:	376.199822
ΔH_f, kcal/mol:	-40.74
Dipole, Da:	5.7
IP(EA), eV:	-8.81(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(4-methylphenyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-oxopiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCC2=C(C1)SC3CC(CCC3C2=O)CC#N)C

DOS

IR

Vibrations