Geometry & MOs

Info

ID:	141479
PubChem CID:	52880995
Reduced:	O2F3N5C20H22 (1)
Stoich.:	A2B3C5D20E22 (1)
Weight, g/mol:	441.137179
ΔH_f, kcal/mol:	-189.79
Dipole, Da:	5.49
IP(EA), eV:	-8.62(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N(C)CC3=NC=CN3CC(F)(F)F

DOS

IR

Vibrations