Geometry & MOs

Info

ID:	379214
PubChem CID:	134356783
Reduced:	Cl2O4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	453.309038
ΔH_f, kcal/mol:	-129.38
Dipole, Da:	0.55
IP(EA), eV:	-10.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3,5-bis(hydroxymethyl)-N-[(2R)-2-(3-methoxy-3-methylpentoxy)-2-methylbutyl]anilino]butanoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(CC2C(C1)C2(Cl)Cl)C(=O)OC

DOS

IR

Vibrations