Geometry & MOs

Info

ID:	144524
PubChem CID:	53381901
Reduced:	SN2O2C39H42 (1)
Stoich.:	AB2C2D39E42 (1)
Weight, g/mol:	486.2341
ΔH_f, kcal/mol:	27.89
Dipole, Da:	3.31
IP(EA), eV:	-8.52(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-(3-cyclohexa-1,4-dien-1-ylpropylamino)-1,2-diphenylethyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)N(CCCC4=CC=CC=C4)CCCC5=CC=CC=C5

DOS

IR

Vibrations