Geometry & MOs

Info

ID:	244152
PubChem CID:	99319116
Reduced:	F2N2O3C20H22 (1)
Stoich.:	A2B2C3D20E22 (1)
Weight, g/mol:	471.09768
ΔH_f, kcal/mol:	-189.15
Dipole, Da:	1.95
IP(EA), eV:	-9.27(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCCC(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations