Geometry & MOs

Info

ID:

222937

PubChem CID:

85333307

Reduced:

SN5O5C36H49 (1)

Stoich.:

AB5C5D36E49 (1)

Weight, g/mol:

669.352634

ΔHf, kcal/mol:

-123.59

Dipole, Da:

10.81

IP(EA), eV:

 -8.52(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[[1-(2-acetamidoethyl)cyclopentyl]-hydroxymethyl]amino]-3-[4-[3-acetyl-5-oxo-2-(2-phenylethyl)-4-(pyridin-3-ylmethyl)imidazolidin-1-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCNC1=NS(=O)(=O)N=C1NC2=CC=C(C=C2)CC(C)(C)NCC(COC3=CC=C(C=C3)OCC4=CC=CC=C4)O

DOS

IR

Vibrations