Geometry & MOs

Info

ID:	39505
PubChem CID:	8141069
Reduced:	Cl2N2O5H16C17 (1)
Stoich.:	A2B2C5D16E17 (1)
Weight, g/mol:	392.058853
ΔH_f, kcal/mol:	-97.29
Dipole, Da:	7.88
IP(EA), eV:	-9.46(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-ethyl-2-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations