Geometry & MOs

Info

ID:

215272

PubChem CID:

85084461

Reduced:

N3O10C43H69 (1)

Stoich.:

A3B10C43D69 (1)

Weight, g/mol:

788.387555

ΔHf, kcal/mol:

-485.94

Dipole, Da:

3.94

IP(EA), eV:

 -8.44(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[6-[[1-[2-(2-chloroacetyl)-2-[(4-hydroxyphenyl)methyl]hydrazinyl]-4-methyl-1-oxopentan-2-yl]amino]-5-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)O)C)OC2C(C(CC(O2)C)C)O)(C)O)C)CCCN(C)C(=O)NC3=CC=CC4=CC=CC=C43)C)O)(C)O

DOS

IR

Vibrations