Geometry & MOs

Info

ID:

81098

PubChem CID:

49854350

Reduced:

FIO2N4C22H28 (1)

Stoich.:

ABC2D4E22F28 (1)

Weight, g/mol:

752.189411

ΔHf, kcal/mol:

-88.75

Dipole, Da:

5.58

IP(EA), eV:

 -8.82(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[[(2S)-3-naphthalen-1-yl-1-oxo-1-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]amino]-2-oxoethyl]amino]ethyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C/C(=O)NC2=C(C=C(C=C2)F)I)C

DOS

IR

Vibrations