Geometry & MOs

Info

ID:	217922
PubChem CID:	85088596
Reduced:	OPC28H29 (1)
Stoich.:	ABC28D29 (1)
Weight, g/mol:	412.257337
ΔH_f, kcal/mol:	8.92
Dipole, Da:	4.63
IP(EA), eV:	-9.0(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CC=C(C1)C(=CCCCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations