Geometry & MOs

Info

ID:	36741
PubChem CID:	8012038
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	380.016846
ΔH_f, kcal/mol:	-160.28
Dipole, Da:	4.88
IP(EA), eV:	-8.85(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations