Geometry & MOs

Info

ID:	329566
PubChem CID:	126738397
Reduced:	ON2F5H9C16 (1)
Stoich.:	AB2C5D9E16 (1)
Weight, g/mol:	484.107991
ΔH_f, kcal/mol:	-214.59
Dipole, Da:	3.76
IP(EA), eV:	-10.78(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-7-(3-cyano-5-fluorophenoxy)-3-hydroxy-4-(trifluoromethylsulfanyl)-2,3-dihydro-1H-inden-1-yl]carbamate

Drug info:

PubChemData

Smile

C1[C@H](C(C2=C1C(=CN=C2C(F)(F)F)C3=CC(=CC(=C3)C#N)F)O)F

DOS

IR

Vibrations