Geometry & MOs

Info

ID:	303277
PubChem CID:	124489447
Reduced:	OSN3H23C24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	271.178358
ΔH_f, kcal/mol:	85.8
Dipole, Da:	6.68
IP(EA), eV:	-8.06(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3[C@@H](C=C2)C([C@@H]([C@H]3C(=O)C(C)(C)C)C4=CSC=C4)(C#N)C#N

DOS

IR

Vibrations