Geometry & MOs

Info

ID:	404202
PubChem CID:	135065387
Reduced:	FNSO2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	432.099122
ΔH_f, kcal/mol:	-95.54
Dipole, Da:	5.14
IP(EA), eV:	-9.48(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[(4R)-1-(4-methoxyphenyl)sulfonyl-4-(4-nitrophenyl)azetidin-2-ylidene]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC=C[C@H](C2)F

DOS

IR

Vibrations