Geometry & MOs

Info

ID:	317768
PubChem CID:	126645713
Reduced:	ClNSO4F7H25C27 (1)
Stoich.:	ABCD4E7F25G27 (1)
Weight, g/mol:	431.095372
ΔH_f, kcal/mol:	-469.88
Dipole, Da:	7.95
IP(EA), eV:	-9.59(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carbonyl]amino]benzoyl azide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1CO)F)OCCCN(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C3=CC=C(C=C3)F)(F)F

DOS

IR

Vibrations