Geometry & MOs

Info

ID:

44996

PubChem CID:

10507075

Reduced:

N3S3O7C23H33 (1)

Stoich.:

A3B3C7D23E33 (1)

Weight, g/mol:

559.148064

ΔHf, kcal/mol:

-299.08

Dipole, Da:

3.14

IP(EA), eV:

 -8.93(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-(methanesulfonamido)-3-[[2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]thieno[2,3-b]thiophene-5-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CCC2=CC3=C(S2)C=C(S3)C(=O)NC[C@@H](C(=O)O)NS(=O)(=O)C

DOS

IR

Vibrations