Geometry & MOs

Info

ID:	61045
PubChem CID:	26704713
Reduced:	ON6H20C21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	492.126755
ΔH_f, kcal/mol:	104.52
Dipole, Da:	6.82
IP(EA), eV:	-8.71(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] (E)-3-(1-benzyltriazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1NC(=O)/C=C/C3=CN(N=N3)CC4=CC=CC=C4

DOS

IR

Vibrations