Geometry & MOs

Info

ID:	401185
PubChem CID:	135050505
Reduced:	N3O3C31H43 (1)
Stoich.:	A3B3C31D43 (1)
Weight, g/mol:	299.134385
ΔH_f, kcal/mol:	-87.61
Dipole, Da:	3.47
IP(EA), eV:	-8.38(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-4-methyl-N-[(2R)-2-phenylpent-4-en-2-yl]benzenesulfinamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](COC(C)(C)C)N=CN1CCC2=C([C@@H]1CC3=CC(=CC=C3)OC)N(C4=CC=CC=C24)COC

DOS

IR

Vibrations