Geometry & MOs

Info

ID:

221776

PubChem CID:

85286132

Reduced:

NO5C39H57 (1)

Stoich.:

AB5C39D57 (1)

Weight, g/mol:

619.244914

ΔHf, kcal/mol:

-198.12

Dipole, Da:

5.15

IP(EA), eV:

 -8.62(0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]-4-(4-chlorophenoxy)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1C(N(CC1=C2OCC(CO2)(C)C)OCC3=CC=CC=C3)C(=O)OC4=C(C=C(C=C4C(C)(C)C)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations