Geometry & MOs

Info

ID:	132374
PubChem CID:	51351026
Reduced:	O2N4C27H34 (1)
Stoich.:	A2B4C27D34 (1)
Weight, g/mol:	332.084908
ΔH_f, kcal/mol:	-12.69
Dipole, Da:	3.73
IP(EA), eV:	-8.58(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chlorosulfonylethyl 2-[4-(2-methylpropyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC=C(C=C1)OC)NC(=O)C2=CNN3C2=NC(CC3(C)C)C4=CC=CC=C4

DOS

IR

Vibrations