Geometry & MOs

Info

ID:

215026

PubChem CID:

85084017

Reduced:

O12C35H58 (1)

Stoich.:

A12B35C58 (1)

Weight, g/mol:

672.409815

ΔHf, kcal/mol:

-605.82

Dipole, Da:

5.54

IP(EA), eV:

 -9.31(1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[[2-cyclohexyl-1-(4-methyl-5-oxooxolan-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC1C(C(OC1(C)CO)C(CO)C2(C(CC3C2(CCC4C3=CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)O)O

DOS

IR

Vibrations