Geometry & MOs

Info

ID:

185869

PubChem CID:

77362938

Reduced:

SCl2N2C25H26 (1)

Stoich.:

AB2C2D25E26 (1)

Weight, g/mol:

552.229225

ΔHf, kcal/mol:

58.81

Dipole, Da:

4.1

IP(EA), eV:

 -8.34(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[2-(4-carbamoyloxyphenyl)-1-carboxyethyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN(C1C2CCN(C1C(C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl)CC2)C5=CC=CS5

DOS

IR

Vibrations