Geometry & MOs

Info

ID:	29981
PubChem CID:	838736
Reduced:	SO2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-18.79
Dipole, Da:	4.12
IP(EA), eV:	-8.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NN=C(S2)NC(=O)C

DOS

IR

Vibrations