Geometry & MOs

Info

ID:	150162
PubChem CID:	53789849
Reduced:	NSO5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	319.064507
ΔH_f, kcal/mol:	-177.22
Dipole, Da:	3.53
IP(EA), eV:	-9.93(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3-amino-2-(2-chlorophenyl)sulfonylbutanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C=CC2=CC=C(O2)S(=O)(=O)O

DOS

IR

Vibrations