Geometry & MOs

Info

ID:	242886
PubChem CID:	99213616
Reduced:	SN3O4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	385.171165
ΔH_f, kcal/mol:	-108.82
Dipole, Da:	3.09
IP(EA), eV:	-9.1(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(4-methylphenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)CN3C=CC=CC3=O

DOS

IR

Vibrations