Geometry & MOs

Info

ID:	127409
PubChem CID:	51001127
Reduced:	FO2N3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-22.79
Dipole, Da:	5.31
IP(EA), eV:	-8.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-hydroxy-3-[4-[(1S)-1-[(2R)-2-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)CC2=CC=C(C=C2)/C=C(/C(=O)NO)\F)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations