Geometry & MOs

Info

ID:	133144
PubChem CID:	51484179
Reduced:	N3O6H21C26 (1)
Stoich.:	A3B6C21D26 (1)
Weight, g/mol:	462.215472
ΔH_f, kcal/mol:	-168.48
Dipole, Da:	3.39
IP(EA), eV:	-8.75(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)NC(=O)C

DOS

IR

Vibrations