Geometry & MOs

Info

ID:	174927
PubChem CID:	75833049
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	381.070465
ΔH_f, kcal/mol:	-77.4
Dipole, Da:	6.71
IP(EA), eV:	-8.75(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,4-bis(methylsulfonyl)anilino]-2,3-dihydro-1H-inden-2-ol

Drug info:

PubChemData

Smile

CC(=O)N1CCCN(CC1)CC(=O)N(C)C2CCCC3=CC=CC=C23

DOS

IR

Vibrations