Geometry & MOs

Info

ID:	150955
PubChem CID:	53790652
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-38.25
Dipole, Da:	10.2
IP(EA), eV:	-8.9(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxy-3-methylpent-1-ynyl)-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CC(=NC=CC1=CC=C(C=C1)S(=O)(=O)C)N

DOS

IR

Vibrations