Geometry & MOs

Info

ID:	146343
PubChem CID:	53672710
Reduced:	SN4O6C20H24 (1)
Stoich.:	AB4C6D20E24 (1)
Weight, g/mol:	388.334131
ΔH_f, kcal/mol:	-201.78
Dipole, Da:	6.59
IP(EA), eV:	-9.16(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-dodecylphenyl)-2-ethyl-2-hydroxyhexan-1-one

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)NC(=NC(=O)OC)N

DOS

IR

Vibrations