Geometry & MOs

Info

ID:	385109
PubChem CID:	134978333
Reduced:	ClNSO4C28H28 (1)
Stoich.:	ABCD4E28F28 (1)
Weight, g/mol:	276.20893
ΔH_f, kcal/mol:	-107.08
Dipole, Da:	7.43
IP(EA), eV:	-8.86(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)butyl] 2-methylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC[C@H](N([C@H]1C2=CC=CC=C2C)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations