Geometry & MOs

Info

ID:

430932

PubChem CID:

135171002

Reduced:

O2N5C31H37 (1)

Stoich.:

A2B5C31D37 (1)

Weight, g/mol:

538.20256

ΔHf, kcal/mol:

100.04

Dipole, Da:

4.38

IP(EA), eV:

 -8.75(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[3-[2-(4-methoxyphenyl)propan-2-ylamino]cyclohexyl]-(2,2,2-trifluoroethyl)carbamoyl]pyrrolo[3,2-b]pyridin-1-yl] thiohypofluorite

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=C(C=C2)OCCC3(N=N3)CCC#C)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations