Geometry & MOs

Info

ID:

219146

PubChem CID:

85090935

Reduced:

O12C31H48 (1)

Stoich.:

A12B31C48 (1)

Weight, g/mol:

612.273004

ΔHf, kcal/mol:

-572.27

Dipole, Da:

4.42

IP(EA), eV:

 -10.11(0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[6-[[1-azido-3-[(4-methylphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2CC3C4(COC(O3)(C)C)C5CCC6(C(CCC6(C5CCC4(C2)O)O)C7CCOC7=O)O)O)O)O

DOS

IR

Vibrations