Geometry & MOs

Info

ID:	443593
PubChem CID:	135259426
Reduced:	SN2F3O8C33H35 (1)
Stoich.:	AB2C3D8E33F35 (1)
Weight, g/mol:	244.203845
ΔH_f, kcal/mol:	-453.44
Dipole, Da:	5.23
IP(EA), eV:	-8.54(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-[2-methyl-2-(3-methylbutoxy)propoxy]butanal

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CC(C3=CC=CC=C3OC)OC4C[C@@H]5CC(C[C@@H]5C4)(C(F)(F)F)O)C(C)(C)C(=O)O)C6=CC=CO6

DOS

IR

Vibrations