Geometry & MOs

Info

ID:	303474
PubChem CID:	124489784
Reduced:	SN3O5H21C23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	465.231537
ΔH_f, kcal/mol:	4.88
Dipole, Da:	3.39
IP(EA), eV:	-9.39(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2[C@H]3[C@H](C2=O)N=C(S3)CC4=CC=CC=C4)C

DOS

IR

Vibrations