Geometry & MOs

Info

ID:

225317

PubChem CID:

85756469

Reduced:

SN7O7C25H39 (1)

Stoich.:

AB7C7D25E39 (1)

Weight, g/mol:

595.296576

ΔHf, kcal/mol:

-221.89

Dipole, Da:

4.62

IP(EA), eV:

 -9.4(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-amino-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[2-[(2-amino-3-methylbutanoyl)amino]propanoylamino]hexanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCSC)C(=O)O)NC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations