Geometry & MOs

Info

ID:	396628
PubChem CID:	135028940
Reduced:	NOSiC20H26 (1)
Stoich.:	ABCD20E26 (1)
Weight, g/mol:	488.213364
ΔH_f, kcal/mol:	-36.88
Dipole, Da:	1.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753662
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(4-morpholin-4-yl-4-phenylbut-2-ynyl)-N-[(1S)-1-phenylethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[Si](C)(C)OC([C@@H]1CCC=[NH+]1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations