Geometry & MOs

Info

ID:	34387
PubChem CID:	7891046
Reduced:	NSO6C21H25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	418.068881
ΔH_f, kcal/mol:	-235.64
Dipole, Da:	7.37
IP(EA), eV:	-8.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN([C@@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3C=C2)O

DOS

IR

Vibrations