Geometry & MOs

Info

ID:	36319
PubChem CID:	8001603
Reduced:	ClN2O4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	363.066221
ΔH_f, kcal/mol:	-126.29
Dipole, Da:	4.83
IP(EA), eV:	-9.43(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[[5-(4-acetylphenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one

Drug info:

PubChemData

Smile

C1[C@H](C(=O)N(C1=O)CC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations