Geometry & MOs

Info

ID:

300438

PubChem CID:

121281633

Reduced:

SN3O6C20H23 (1)

Stoich.:

AB3C6D20E23 (1)

Weight, g/mol:

571.246455

ΔHf, kcal/mol:

-167.83

Dipole, Da:

3.22

IP(EA), eV:

 -8.23(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[2-[(2S,4R)-2-[(1-cyanocyclopropyl)carbamoyl]-4-(4-methylphenyl)sulfonylpyrrolidine-1-carbonyl]azetidin-1-yl]piperidin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CCC(=CC1)C(=O)NC2=C(C3=C(S2)OCCC3)C4=NC(=NO4)C5CC5.C(=O)(O)O

DOS

IR

Vibrations