Geometry & MOs

Info

ID:	433010
PubChem CID:	135173147
Reduced:	SO3N6C19H22 (1)
Stoich.:	AB3C6D19E22 (1)
Weight, g/mol:	276.20893
ΔH_f, kcal/mol:	-30.47
Dipole, Da:	4.89
IP(EA), eV:	-8.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)propyl 2-ethyl-3,3-dimethylbutanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)C2=NC=C(C=N2)C3=CC4=C(C=C3)N=C5N4CCOC5

DOS

IR

Vibrations