Geometry & MOs

Info

ID:

47357

PubChem CID:

10531843

Reduced:

ClPN3O7C30H33 (1)

Stoich.:

ABC3D7E30F33 (1)

Weight, g/mol:

614.283946

ΔHf, kcal/mol:

-279.96

Dipole, Da:

2.07

IP(EA), eV:

 -8.94(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,5R)-7-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2,5-bis(phenylmethoxycarbonylamino)heptanoate

Drug info:

PubChemData

Smile

CCOP(=O)(CN1C(=NC2=C1C(=CC=C2)Cl)C[C@H](C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)OCC

DOS

IR

Vibrations