Geometry & MOs

Info

ID:	146789
PubChem CID:	53750441
Reduced:	O4C21H26 (1)
Stoich.:	A4B21C26 (1)
Weight, g/mol:	354.088557
ΔH_f, kcal/mol:	-144.98
Dipole, Da:	5.95
IP(EA), eV:	-9.66(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylsulfanyl-4-oxoazetidin-3-yl)ethyl (4-nitrophenyl)methyl carbonate

Drug info:

PubChemData

Smile

C[C@]12C=CC(=O)CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O

DOS

IR

Vibrations