Geometry & MOs

Info

ID:	43670
PubChem CID:	10321626
Reduced:	N2O5C26H32 (1)
Stoich.:	A2B5C26D32 (1)
Weight, g/mol:	452.231122
ΔH_f, kcal/mol:	-160.12
Dipole, Da:	4.98
IP(EA), eV:	-8.09(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(2S,3R)-3-ethyl-3-methyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidin-2-yl]oxybenzoate

Drug info:

PubChemData

Smile

CCCC1=C(C=C(C=C1)CCC(=O)O)OCCCOC2=CC(=O)/C(=C\3/C=CNN3)/C=C2CC

DOS

IR

Vibrations