Geometry & MOs

Info

ID:

219334

PubChem CID:

85098796

Reduced:

N4O10C45H50 (1)

Stoich.:

A4B10C45D50 (1)

Weight, g/mol:

808.359626

ΔHf, kcal/mol:

-328.21

Dipole, Da:

7.74

IP(EA), eV:

 -7.93(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[[1-[2-(2-chloroacetyl)-2-[(4-hydroxyphenyl)methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]amino]-6-[(4-methylphenyl)sulfonylamino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4C(=O)CCCC(=O)OC5CCC6C5(CCC7C6CCC8=C7C=CC(=C8)OC(=O)C9=CC=CC=C9)C)N

DOS

IR

Vibrations