Geometry & MOs

Info

ID:

127416

PubChem CID:

51001501

Reduced:

SN4O9C25H30 (1)

Stoich.:

AB4C9D25E30 (1)

Weight, g/mol:

718.159649

ΔHf, kcal/mol:

-322.71

Dipole, Da:

6.54

IP(EA), eV:

 -9.76(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-5-(diaminomethylideneamino)-2-[[3-[[3-[[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-4-yl]methylamino]phenyl]sulfonylamino]thiophene-2-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C[C@@H](C(=O)OC[C@@H]2[C@H]([C@@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N

DOS

IR

Vibrations