Geometry & MOs

Info

ID:	43668
PubChem CID:	10321623
Reduced:	O6C27H32 (1)
Stoich.:	A6B27C32 (1)
Weight, g/mol:	452.231122
ΔH_f, kcal/mol:	-205.41
Dipole, Da:	0.42
IP(EA), eV:	-9.06(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3,3-diethyl-1-[(3-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]oxybenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CO[C@H]2[C@H]3[C@@H](CO[C@]24COC(O4)(C)C)O[C@H](O3)[C@@H]5C[C@H]5C6=CC=CC=C6

DOS

IR

Vibrations