Geometry & MOs

Info

ID:	44428
PubChem CID:	10503543
Reduced:	N2S2O5C21H22 (1)
Stoich.:	A2B2C5D21E22 (1)
Weight, g/mol:	446.166414
ΔH_f, kcal/mol:	-11.76
Dipole, Da:	5.52
IP(EA), eV:	-9.12(-2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzyl-4-oxoazetidin-2-yl)-4-methyl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCCSC1=CC2=C(C(=C1)[N+](=O)[O-])C3=C(C2=O)C=C(C=C3SCCCC)[N+](=O)[O-]

DOS

IR

Vibrations