Geometry & MOs

Info

ID:	303500
PubChem CID:	124489829
Reduced:	FNO4C28H32 (1)
Stoich.:	ABC4D28E32 (1)
Weight, g/mol:	465.231537
ΔH_f, kcal/mol:	-190.86
Dipole, Da:	8.1
IP(EA), eV:	-8.28(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (Z,3R)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3-hydroxy-5-oxohept-6-enoate

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2C(=C1/C=C\C(=O)C[C@@H](CC(=O)OC(C)(C)C)O)C3=CC=C(C=C3)F

DOS

IR

Vibrations