Geometry & MOs

Info

ID:	447780
PubChem CID:	135285707
Reduced:	FSN3O6C26H32 (1)
Stoich.:	ABC3D6E26F32 (1)
Weight, g/mol:	488.141736
ΔH_f, kcal/mol:	-285.29
Dipole, Da:	7.29
IP(EA), eV:	-9.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-fluoro-3-[4-(3-methoxycarbonylazetidin-1-yl)sulfonylphenyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNS(=O)(=O)C1=CC=CC(=C1)C2=CN(C3=C2C=CC(=C3)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations