Geometry & MOs

Info

ID:

17055

PubChem CID:

482920

Reduced:

S2N9O10C29H43 (1)

Stoich.:

A2B9C10D29E43 (1)

Weight, g/mol:

741.257431

ΔHf, kcal/mol:

-377.41

Dipole, Da:

16.17

IP(EA), eV:

 -8.46(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[6-[[4-[[4-[3-(dimethylamino)propylcarbamoyl]-1,3-thiazol-2-yl]carbamoyl]-1,3-thiazol-2-yl]amino]-6-oxohexyl]amino]-2-oxoethyl]amino]acetic acid

Drug info:

PubChemData

Smile

CN(C)CCCNC(=O)C1=CSC(=N1)NC(=O)C2=CSC(=N2)NC(=O)CCCCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

DOS

IR

Vibrations