Geometry & MOs

Info

ID:	444549
PubChem CID:	135262832
Reduced:	ClNSO4C9H10 (1)
Stoich.:	ABCD4E9F10 (1)
Weight, g/mol:	442.225643
ΔH_f, kcal/mol:	-179.4
Dipole, Da:	3.81
IP(EA), eV:	-9.48(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-N-[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)CC(=O)O)NS1(=O)=O.Cl

DOS

IR

Vibrations