Geometry & MOs

Info

ID:	34407
PubChem CID:	7891204
Reduced:	NO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	402.098432
ΔH_f, kcal/mol:	-118.9
Dipole, Da:	3.65
IP(EA), eV:	-9.16(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=C(C3=CC=CC=C3C=C2)O

DOS

IR

Vibrations