Geometry & MOs

Info

ID:	413746
PubChem CID:	135086696
Reduced:	BrSN2O2H17C19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	301.086956
ΔH_f, kcal/mol:	-18.52
Dipole, Da:	4.55
IP(EA), eV:	-8.66(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2-chlorophenyl)-(3-methylphenyl)methylidene]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C)C3=CN=C(C=C3)Br

DOS

IR

Vibrations