Geometry & MOs

Info

ID:	296905
PubChem CID:	117600282
Reduced:	NO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	734.205576
ΔH_f, kcal/mol:	14.36
Dipole, Da:	3.59
IP(EA), eV:	-9.78(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,4S)-4-[[4-[(2,4-dimethoxyphenyl)methyl-(1,2,4-thiadiazol-5-yl)sulfamoyl]-2,5-difluorophenoxy]methyl]-3-(4-fluorophenyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1C(=O)C(=O)C2=CC=C(C=C2)C3=CN=CC=C3

DOS

IR

Vibrations