Geometry & MOs

Info

ID:	219050
PubChem CID:	85090411
Reduced:	O5N7C28H29 (1)
Stoich.:	A5B7C28D29 (1)
Weight, g/mol:	543.120787
ΔH_f, kcal/mol:	-1.62
Dipole, Da:	8.66
IP(EA), eV:	-8.4(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[bis(phenylsulfanyl)methyl]-1-[(4-methoxyphenyl)methyl]-4-oxoazetidin-3-yl]ethyl methanesulfonate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CN2C3=CC=CC=C3C(=NNC(=O)C4=CC(=C(C=C4)NC5=CC=C(C=C5)OC)[N+](=O)[O-])C2=O

DOS

IR

Vibrations