Geometry & MOs

Info

ID:

446093

PubChem CID:

135272331

Reduced:

N5O9C21H41 (1)

Stoich.:

A5B9C21D41 (1)

Weight, g/mol:

795.394224

ΔHf, kcal/mol:

-423.35

Dipole, Da:

4.74

IP(EA), eV:

 -9.36(0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(3R)-2-[[(9S)-7-(6-ethyl-3,5-dimethyloxan-2-yl)oxy-5,11-dimethyl-4-oxo-3,8,13-trioxa-5-azatricyclo[7.4.0.02,6]tridecan-12-yl]oxy]-3-hydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CNC1C(C2[C@H](CC(C(O2)OC3CC(C(CC3N)N)O)N)OC1OC4C(CC(C(O4)CO)N)O)O

DOS

IR

Vibrations