Geometry & MOs

Info

ID:	33934
PubChem CID:	7888878
Reduced:	OSN3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	358.072035
ΔH_f, kcal/mol:	49.04
Dipole, Da:	1.91
IP(EA), eV:	-8.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations