Geometry & MOs

Info

ID:	81436
PubChem CID:	49854723
Reduced:	BrSF3N4O4H18C27 (1)
Stoich.:	ABC3D4E4F18G27 (1)
Weight, g/mol:	348.127406
ΔH_f, kcal/mol:	-190.35
Dipole, Da:	3.24
IP(EA), eV:	-9.16(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-4-phenylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)S(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F)Br

DOS

IR

Vibrations