Geometry & MOs

Info

ID:	244451
PubChem CID:	99355571
Reduced:	FON6H19C25 (1)
Stoich.:	ABC6D19E25 (1)
Weight, g/mol:	370.109962
ΔH_f, kcal/mol:	90.88
Dipole, Da:	5.37
IP(EA), eV:	-9.11(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)C4=CC=C(C=C4)N5C=NN=C5

DOS

IR

Vibrations