Geometry & MOs

Info

ID:

17056

PubChem CID:

482921

Reduced:

S3N11O11C33H45 (1)

Stoich.:

A3B11C11D33E45 (1)

Weight, g/mol:

867.246215

ΔHf, kcal/mol:

-369.58

Dipole, Da:

5.65

IP(EA), eV:

 -8.74(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[6-[[4-[[4-[[4-[3-(dimethylamino)propylcarbamoyl]-1,3-thiazol-2-yl]carbamoyl]-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)C3=CSC(=N3)NC(=O)CCCCCNC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

DOS

IR

Vibrations