Geometry & MOs

Info

ID:	151128
PubChem CID:	53790826
Reduced:	NO2C26H35 (1)
Stoich.:	AB2C26D35 (1)
Weight, g/mol:	538.192629
ΔH_f, kcal/mol:	-79.1
Dipole, Da:	5.06
IP(EA), eV:	-8.51(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl N-[(3S,4S)-2-oxo-4-(tritylsulfanylmethyl)azetidin-3-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H]1C=C2[C@](CCC(=O)N2C)([C@@H]3[C@@H]1[C@@H]4CC(C[C@]4(CC3)C)OC5=CC=CC=C5)C

DOS

IR

Vibrations