Geometry & MOs

Info

ID:	150507
PubChem CID:	53790200
Reduced:	ClO2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	670.253285
ΔH_f, kcal/mol:	-89.44
Dipole, Da:	3.69
IP(EA), eV:	-9.76(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl 2-[(2R,3S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(1,3-dioxoisoindol-2-yl)sulfanyl-4-oxoazetidin-1-yl]-3-methylbut-3-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(CO)O)Cl

DOS

IR

Vibrations