Geometry & MOs

Info

ID:	195710
PubChem CID:	78726467
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	417.160994
ΔH_f, kcal/mol:	-6.61
Dipole, Da:	4.36
IP(EA), eV:	-8.96(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate

Drug info:

PubChemData

Smile

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)CN3N=C(N=N3)C4=CC=C(C=C4)C

DOS

IR

Vibrations