Geometry & MOs

Info

ID:

318479

PubChem CID:

126651480

Reduced:

SN5O7C23H29 (1)

Stoich.:

AB5C7D23E29 (1)

Weight, g/mol:

519.178769

ΔHf, kcal/mol:

-128.37

Dipole, Da:

4.07

IP(EA), eV:

 -8.77(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonyl-4-oxobutyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-6-yl]penta-2,4-diynyl 4-methylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(CCN1CC2=CC(=CN2C1=O)C#CC#CCOC(=O)N3CCN(CC3)C)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations