Geometry & MOs

Info

ID:	343193
PubChem CID:	127266366
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	345.087116
ΔH_f, kcal/mol:	-97.05
Dipole, Da:	4.83
IP(EA), eV:	-8.72(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[4-(methylamino)-2-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)NC2=CN(C(=O)C=C2)CCO

DOS

IR

Vibrations