Geometry & MOs

Info

ID:

84682

PubChem CID:

49869299

Reduced:

SO7N8C34H50 (1)

Stoich.:

AB7C8D34E50 (1)

Weight, g/mol:

564.30939

ΔHf, kcal/mol:

-250.3

Dipole, Da:

11.85

IP(EA), eV:

 -9.61(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[(E)-3-benzylsulfonylprop-2-enoyl]amino]-3-methylbutan-2-yl]-2-[5-(diaminomethylideneamino)pentanoylamino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CNC(=O)/C=C/S(=O)(=O)CC1=CC=NC=C1)C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations