Geometry & MOs

Info

ID:	137568
PubChem CID:	52228782
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	318.115047
ΔH_f, kcal/mol:	-37.33
Dipole, Da:	6.22
IP(EA), eV:	-8.67(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-ethylthiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CC1=CC=C(C=C1)NC(=O)CCCCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations