Geometry & MOs

Info

ID:	61405
PubChem CID:	26708949
Reduced:	BrNSF2O3H10C14 (1)
Stoich.:	ABCD2E3F10G14 (1)
Weight, g/mol:	428.140389
ΔH_f, kcal/mol:	-162.74
Dipole, Da:	7.14
IP(EA), eV:	-9.65(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyltriazol-4-yl)-N-[(S)-(4-chlorophenyl)-phenylmethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)F)NC(=O)C2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations