Geometry & MOs

Info

ID:

128211

PubChem CID:

51035548

Reduced:

O3N7C32H43 (1)

Stoich.:

A3B7C32D43 (1)

Weight, g/mol:

542.289306

ΔHf, kcal/mol:

-82.26

Dipole, Da:

3.2

IP(EA), eV:

 -8.18(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-1-(2-cyclopropylacetyl)-N-[4-[4-[[(3S)-1-(2-cyclopropylacetyl)pyrrolidine-3-carbonyl]amino]phenyl]phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C5C(=C(C=C4)C(=O)N[C@@H]6C[C@H]7CCN(C[C@H]7C6)C)CCO5)C

DOS

IR

Vibrations