Geometry & MOs

Info

ID:	37829
PubChem CID:	8024936
Reduced:	S2N3O4C16H21 (1)
Stoich.:	A2B3C4D16E21 (1)
Weight, g/mol:	334.092204
ΔH_f, kcal/mol:	-142.82
Dipole, Da:	3.52
IP(EA), eV:	-9.06(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclopropyl-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SCC(=O)NCCOC)C)C

DOS

IR

Vibrations