Geometry & MOs

Info

ID:

181665

PubChem CID:

76772954

Reduced:

N5O6H39C42 (1)

Stoich.:

A5B6C39D42 (1)

Weight, g/mol:

763.384603

ΔHf, kcal/mol:

-99.01

Dipole, Da:

10.86

IP(EA), eV:

 -8.78(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(dimethylamino)-2-phenylacetyl]-N-[3-[2-[2-[1-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-3H-indol-6-yl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(C2=CC=CC=C2)O)C3=NC4=C(N3)C=C(C=C4)C5=CN=C(O5)C6=CC=C(C=C6)CC(=O)C7CCCN7C(=O)C(C8=CC=CC=C8)O

DOS

IR

Vibrations