Geometry & MOs

Info

ID:	37236
PubChem CID:	8018615
Reduced:	SN3O5C19H19 (1)
Stoich.:	AB3C5D19E19 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-123.68
Dipole, Da:	6.82
IP(EA), eV:	-9.29(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)OC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations