Geometry & MOs

Info

ID:

431037

PubChem CID:

135171107

Reduced:

FON5C24H26 (1)

Stoich.:

ABC5D24E26 (1)

Weight, g/mol:

766.437053

ΔHf, kcal/mol:

1.35

Dipole, Da:

6.21

IP(EA), eV:

 -9.19(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-5-[4-[[[(1R,3S)-3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]amino]methyl]phenyl]-N-[(1S,3R)-3-[(4-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=C(C=C2)F)C(=O)C3=NC4=C(N3)C=C(C=C4)C#N

DOS

IR

Vibrations