Geometry & MOs

Info

ID:	131631
PubChem CID:	51236843
Reduced:	ClOS2N4C14H17 (1)
Stoich.:	ABC2D4E14F17 (1)
Weight, g/mol:	309.060569
ΔH_f, kcal/mol:	14.72
Dipole, Da:	4.82
IP(EA), eV:	-9.07(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

CCNC1=NN=C(S1)SCC(=O)NC(C)C2=CC=CC=C2Cl

DOS

IR

Vibrations