Geometry & MOs

Info

ID:

325063

PubChem CID:

126679441

Reduced:

ON5H17C19 (1)

Stoich.:

AB5C17D19 (1)

Weight, g/mol:

573.253352

ΔHf, kcal/mol:

98.32

Dipole, Da:

2.81

IP(EA), eV:

 -9.04(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[(2S)-2-[[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-5-phenyl-1,3-thiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations