Geometry & MOs

Info

ID:

313338

PubChem CID:

126613890

Reduced:

N2O10C39H54 (1)

Stoich.:

A2B10C39D54 (1)

Weight, g/mol:

682.346546

ΔHf, kcal/mol:

-407.61

Dipole, Da:

2.96

IP(EA), eV:

 -8.49(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[2-[2-methoxy-4-[(1E,6E)-7-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]-2,6-dimethyl-3,5-dioxohepta-1,6-dienyl]phenoxy]ethyl]carbamic acid

Drug info:

PubChemData

Smile

C/C(=C(/C)\C(=O)CC(=O)/C(=C(\C)/C1=CC(=C(C=C1)OCCN(C(=O)O)C(C)(C)C)OC)/C)/C2=CC(=C(C=C2)OCCNC(=O)OC(C)(C)C)OC

DOS

IR

Vibrations