Geometry & MOs

Info

ID:	413610
PubChem CID:	135086559
Reduced:	SO3N4H16C17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	1.48
Dipole, Da:	2.63
IP(EA), eV:	-8.23(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-indol-3-yl)butan-2-ylideneamino] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C(=[N+]=[N-])C3=C(N2C)C=CC(=C3)OC

DOS

IR

Vibrations