Geometry & MOs

Info

ID:	234474
PubChem CID:	92298507
Reduced:	ClF2N2O5H11C16 (1)
Stoich.:	AB2C2D5E11F16 (1)
Weight, g/mol:	373.041853
ΔH_f, kcal/mol:	-190.08
Dipole, Da:	7.66
IP(EA), eV:	-9.79(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations