Geometry & MOs

Info

ID:

185044

PubChem CID:

77245328

Reduced:

O3N4C23H28 (2)

Stoich.:

A3B4C23D28 (2)

Weight, g/mol:

686.253895

ΔHf, kcal/mol:

-199.17

Dipole, Da:

4.62

IP(EA), eV:

 -8.58(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[2-[[6-chloro-3-[3-[1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonyl]amino]ethyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(N1C(=O)C(C(C)C)NC(=O)OC)C2=NC=C(N2)C3=CC4=C(C=C3)C=C(C=C4)C5=CC=C(C=C5)C6=CN=C(N6)C7CCC(N7C(=O)C(C(C)C)N(C)C(=O)O)C

DOS

IR

Vibrations