Geometry & MOs

Info

ID:	282641
PubChem CID:	103933832
Reduced:	S2N3H11C13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	297.060569
ΔH_f, kcal/mol:	109.14
Dipole, Da:	4.92
IP(EA), eV:	-9.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=C2)CNC3=NN=CS3

DOS

IR

Vibrations