Geometry & MOs

Info

ID:

224971

PubChem CID:

85735198

Reduced:

NC2H2O2 (4)

Stoich.:

AB2C2D2 (4)

Weight, g/mol:

530.379183

ΔHf, kcal/mol:

-91.19

Dipole, Da:

6.15

IP(EA), eV:

 -10.94(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[6-amino-1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-8-(2-aminoethoxy)octanamide

Drug info:

PubChemData

Smile

CC(=O)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations