Geometry & MOs

Info

ID:	393730
PubChem CID:	135021570
Reduced:	BrNSO3H18C24 (1)
Stoich.:	ABCD3E18F24 (1)
Weight, g/mol:	384.314064
ΔH_f, kcal/mol:	-11.59
Dipole, Da:	4.45
IP(EA), eV:	-9.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4,4-dimethyl-5-(4-methylphenyl)-2,3-dihydropyrrol-2-yl]propan-2-yloxy]-2,2,6,6-tetramethylpiperidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC=C2C(=O)C3=CC=CC=C3Br)C4=CC=CC=C4

DOS

IR

Vibrations