Geometry & MOs

Info

ID:	39583
PubChem CID:	8141452
Reduced:	N3O5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	407.144967
ΔH_f, kcal/mol:	-123.86
Dipole, Da:	0.92
IP(EA), eV:	-9.22(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-morpholin-4-ylphenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)NC(=O)COC2=CC=CC=C2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations