Geometry & MOs

Info

ID:	157922
PubChem CID:	56459020
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	449.098017
ΔH_f, kcal/mol:	-30.26
Dipole, Da:	5.13
IP(EA), eV:	-8.48(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)amino]phenyl] N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC(=CC=C2)NC(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations