Geometry & MOs

Info

ID:

214975

PubChem CID:

85083943

Reduced:

ClNPO10C31H45 (1)

Stoich.:

ABCD10E31F45 (1)

Weight, g/mol:

658.30095

ΔHf, kcal/mol:

-429.69

Dipole, Da:

6.79

IP(EA), eV:

 -9.59(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-3-[[2-[[2-(benzylsulfonylamino)-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-6-(diaminomethylideneamino)-2-oxohexanamide

Drug info:

PubChemData

Smile

COC(COCCCCCCCCCCCC(=O)OC)COP(=O)(OCCC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2Cl

DOS

IR

Vibrations