Geometry & MOs

Info

ID:	127408
PubChem CID:	51001021
Reduced:	ClO2N4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	393.185255
ΔH_f, kcal/mol:	-9.4
Dipole, Da:	3.97
IP(EA), eV:	-9.0(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-fluoro-N-hydroxy-3-[4-[[(2R)-2-(1H-indol-3-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CNC[C@H]([C@@H]1N2C=NC3=C(C2=O)C=C(C4=CC=CC=C43)CC5=CN=C(C=C5)Cl)O

DOS

IR

Vibrations