Geometry & MOs

Info

ID:	381140
PubChem CID:	134971791
Reduced:	NSO4C22H27 (1)
Stoich.:	ABC4D22E27 (1)
Weight, g/mol:	164.156501
ΔH_f, kcal/mol:	-154.17
Dipole, Da:	3.68
IP(EA), eV:	-9.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C(C2)C(=O)OC(C)(C)C)C3=CC=CC=C3

DOS

IR

Vibrations