Geometry & MOs

Info

ID:

435838

PubChem CID:

135192552

Reduced:

N3C7H13 (1)

Stoich.:

A3B7C13 (1)

Weight, g/mol:

645.312226

ΔHf, kcal/mol:

24.22

Dipole, Da:

4.59

IP(EA), eV:

-8.85(0.77)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[2-[[2-[[(2S)-1-[[2-[2-(2-amino-2-oxoethoxy)ethylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanamide

Drug info:

PubChemData

Smile

C1CC(C1)/C(=C/C(=N)N)/N

DOS

IR

Vibrations