Geometry & MOs

Info

ID:

54017

PubChem CID:

14719535

Reduced:

ClN2O6C38H41 (1)

Stoich.:

AB2C6D38E41 (1)

Weight, g/mol:

547.208528

ΔHf, kcal/mol:

-188.61

Dipole, Da:

4.33

IP(EA), eV:

 -8.59(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (5R)-9-chloro-7,8-bis(ethylcarbamoyloxy)-5-(4-hydroxyphenyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)OC1=C(C(=C2CCN(CC(C2=C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC(C)(C)C)Cl)OCC5=CC=CC=C5

DOS

IR

Vibrations