Geometry & MOs

Info

ID:

188980

PubChem CID:

77796782

Reduced:

O11C30H58 (1)

Stoich.:

A11B30C58 (1)

Weight, g/mol:

631.268979

ΔHf, kcal/mol:

-575.92

Dipole, Da:

3.28

IP(EA), eV:

 -10.1(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[(4-carbamimidoylphenyl)methyl]-N'-prop-2-enylpropanediamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCCCC)OCC1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O

DOS

IR

Vibrations