Geometry & MOs

Info

ID:	237994
PubChem CID:	92728736
Reduced:	NOSC17H25 (1)
Stoich.:	ABCD17E25 (1)
Weight, g/mol:	464.194737
ΔH_f, kcal/mol:	-70.05
Dipole, Da:	2.8
IP(EA), eV:	-8.52(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S[C@@H](C)C(=O)NC2CCCCC2

DOS

IR

Vibrations