Geometry & MOs

Info

ID:

432717

PubChem CID:

135172854

Reduced:

O8C47H64 (1)

Stoich.:

A8B47C64 (1)

Weight, g/mol:

313.188923

ΔHf, kcal/mol:

-356.2

Dipole, Da:

3.84

IP(EA), eV:

 -9.0(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S)-5-[(3S)-2-bicyclo[1.1.0]butanyl]-3-methoxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)CCC2=CC=C(C=C2)C3=C(C=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)CCC

DOS

IR

Vibrations