Geometry & MOs

Info

ID:

225299

PubChem CID:

85756449

Reduced:

SN5O5C19H29 (1)

Stoich.:

AB5C5D19E29 (1)

Weight, g/mol:

637.307141

ΔHf, kcal/mol:

-191.39

Dipole, Da:

6.78

IP(EA), eV:

 -8.84(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCCC(C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations