Geometry & MOs

Info

ID:

219304

PubChem CID:

85098626

Reduced:

O3N7C44H75 (1)

Stoich.:

A3B7C44D75 (1)

Weight, g/mol:

749.307908

ΔHf, kcal/mol:

-127.19

Dipole, Da:

5.33

IP(EA), eV:

 -8.22(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 6-[[chloro(phenyl)methoxy]carbonylamino]-2-[9H-fluoren-9-ylmethoxycarbonyl-[3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]hexanoate

Drug info:

PubChemData

Smile

CC(CCCN(C)CC1=CC=CC=C1)C2CCC3C2(C(CC4C3C(CC5C4(CCC(C5)OCCNC(=C)N)C)OCCNC(=C)N)OCCNC(=C)N)C

DOS

IR

Vibrations