Geometry & MOs

Info

ID:	433169
PubChem CID:	135173306
Reduced:	NSO4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	283.097521
ΔH_f, kcal/mol:	-178.77
Dipole, Da:	5.84
IP(EA), eV:	-9.22(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[4-(chloromethyl)benzoyl]amino]-2-methylpropyl] acetate

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC(CC1)COS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations