Geometry & MOs

Info

ID:	303499
PubChem CID:	124489826
Reduced:	FOC2H3 (3)
Stoich.:	ABC2D3 (3)
Weight, g/mol:	465.231537
ΔH_f, kcal/mol:	-305.57
Dipole, Da:	4.51
IP(EA), eV:	-11.28(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H]([C@@H](C(F)(F)F)O)C(=O)O

DOS

IR

Vibrations