Geometry & MOs

Info

ID:	406081
PubChem CID:	135076460
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	272.169608
ΔH_f, kcal/mol:	-35.97
Dipole, Da:	3.31
IP(EA), eV:	-9.26(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enylidene]amino]aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C\C2=C(C=C(C=C2)C)C

DOS

IR

Vibrations