Geometry & MOs

Info

ID:	32984
PubChem CID:	7849944
Reduced:	NSO6C21H23 (1)
Stoich.:	ABC6D21E23 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	-218.01
Dipole, Da:	4.97
IP(EA), eV:	-9.58(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations