Geometry & MOs

Info

ID:	70708
PubChem CID:	48413755
Reduced:	OSF2N3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	364.11063
ΔH_f, kcal/mol:	-87.32
Dipole, Da:	5.29
IP(EA), eV:	-9.69(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)SC(F)F

DOS

IR

Vibrations