Geometry & MOs

Info

ID:

185666

PubChem CID:

77328263

Reduced:

PSN5O5C34H34 (1)

Stoich.:

ABC5D5E34F34 (1)

Weight, g/mol:

659.350526

ΔHf, kcal/mol:

-137.78

Dipole, Da:

4.41

IP(EA), eV:

 -8.81(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[3-[4-(dicyclohexylmethyl)piperazin-1-yl]-2-(1H-indole-2-carbonylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C(CSC4=C(C=CC=N4)P(=O)(O)O)NC(=O)C5=CC6=CC=CC=C6N5

DOS

IR

Vibrations