Geometry & MOs

Info

ID:	387441
PubChem CID:	134985393
Reduced:	NOSH17C19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	313.134779
ΔH_f, kcal/mol:	63.82
Dipole, Da:	3.67
IP(EA), eV:	-8.59(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(4-methylphenyl)sulfonylamino]butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)N2C[C@@H]2C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations