Geometry & MOs

Info

ID:

219206

PubChem CID:

85091586

Reduced:

O18C35H46 (1)

Stoich.:

A18B35C46 (1)

Weight, g/mol:

755.298885

ΔHf, kcal/mol:

-743.81

Dipole, Da:

5.07

IP(EA), eV:

 -8.74(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[benzyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(tritylamino)butanoyl]amino]sulfamoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(CO3)(C)CO)O)OCCC4=CC(=C(C=C4)O)O)COC(=O)C=CC5=CC(=C(C=C5)O)O)O)O)O)O

DOS

IR

Vibrations