Geometry & MOs

Info

ID:	430039
PubChem CID:	135170096
Reduced:	SO6C37H56 (1)
Stoich.:	AB6C37D56 (1)
Weight, g/mol:	306.219495
ΔH_f, kcal/mol:	-337.72
Dipole, Da:	3.12
IP(EA), eV:	-9.67(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-hydroxypropyl)phenyl] 2,4-dimethyl-2-propan-2-ylpentanoate

Drug info:

PubChemData

Smile

CCC1CCC2(CC1CC(C2)C3=C(C(=CC(=C3)C4(CC5CCCC(C5)(C4)O)C)C67CC(CC(C6)CC(C7)O)C)S(=O)(=O)O)O

DOS

IR

Vibrations