Geometry & MOs

Info

ID:	299855
PubChem CID:	117703564
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	394.071131
ΔH_f, kcal/mol:	-27.49
Dipole, Da:	1.95
IP(EA), eV:	-9.29(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[pyridin-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C1)C2=NOC(=C2C#N)C(C)(C)C)OC

DOS

IR

Vibrations