Geometry & MOs

Info

ID:	135375
PubChem CID:	51863240
Reduced:	N2O2C22H23 (1)
Stoich.:	A2B2C22D23 (1)
Weight, g/mol:	420.226037
ΔH_f, kcal/mol:	6.83
Dipole, Da:	18.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.118403
Charge, e:	-2

Chem-info

IUPAC name:

(1R,2R)-2-[[(1S,2R)-2-[[(1R,2S)-2-carboxylatocyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1C[NH+](C[C@H]1NC(=O)C2=CC3=CC=CC=C3C=C2O)CC4=CC=CC=C4

DOS

IR

Vibrations