Geometry & MOs

Info

ID:	130326
PubChem CID:	51075611
Reduced:	ClNSO3C11H16 (1)
Stoich.:	ABCD3E11F16 (1)
Weight, g/mol:	319.064507
ΔH_f, kcal/mol:	-117.65
Dipole, Da:	7.07
IP(EA), eV:	-9.77(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)NC(C)COC)Cl

DOS

IR

Vibrations