Geometry & MOs

Info

ID:	121432
PubChem CID:	50767860
Reduced:	SN3O5C26H33 (1)
Stoich.:	AB3C5D26E33 (1)
Weight, g/mol:	449.198442
ΔH_f, kcal/mol:	-186.76
Dipole, Da:	6.73
IP(EA), eV:	-8.46(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(azepan-1-yl)-2-oxoethyl]-3,3-dimethyl-5-morpholin-4-ylsulfonylindol-2-one

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3(C)C)CC(=O)NC4=C(C=CC(=C4)C)OC

DOS

IR

Vibrations