Geometry & MOs

Info

ID:	66206
PubChem CID:	46500428
Reduced:	OSN2C23H25 (1)
Stoich.:	ABC2D23E25 (1)
Weight, g/mol:	484.137669
ΔH_f, kcal/mol:	11.46
Dipole, Da:	4.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126229
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[6,6-dimethyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]benzamide

Drug info:

PubChemData

Smile

CC[N+]1=C(C=CC2=C1C=C(C=C2)C)/C=C\3/N(C4=C(S3)C=CC(=C4)C)CCO

DOS

IR

Vibrations