Geometry & MOs

Info

ID:	394481
PubChem CID:	135023046
Reduced:	O7C38H40 (1)
Stoich.:	A7B38C40 (1)
Weight, g/mol:	433.20755
ΔH_f, kcal/mol:	-176.06
Dipole, Da:	4.05
IP(EA), eV:	-9.28(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-tert-butylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidine

Drug info:

PubChemData

Smile

CC(=O)C(=O)C[C@@H]1C(C([C@@H](C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations