Geometry & MOs

Info

ID:

220185

PubChem CID:

85165337

Reduced:

O5N6C38H48 (1)

Stoich.:

A5B6C38D48 (1)

Weight, g/mol:

668.3455

ΔHf, kcal/mol:

-180.14

Dipole, Da:

3.99

IP(EA), eV:

 -9.46(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-(4-hydroxyphenyl)-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)N)N

DOS

IR

Vibrations