Geometry & MOs

Info

ID:	146406
PubChem CID:	53684975
Reduced:	SO3N5C31H41 (1)
Stoich.:	AB3C5D31E41 (1)
Weight, g/mol:	348.13953
ΔH_f, kcal/mol:	-61.84
Dipole, Da:	5.73
IP(EA), eV:	-8.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylmethoxy-2-propoxy-3-propylsulfonylbenzene

Drug info:

PubChemData

Smile

CC(C)(CC=CC(=O)N(C)[C@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)[C@H](CC3=CC=CS3)C(=O)NN(C)C)N

DOS

IR

Vibrations