Geometry & MOs

Info

ID:	176206
PubChem CID:	76009898
Reduced:	PN3O8C9H16 (1)
Stoich.:	AB3C8D9E16 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-360.2
Dipole, Da:	6.5
IP(EA), eV:	-10.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-benzyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=C(N=NN1C2C(C(C(O2)COP(=O)(O)O)O)O)CCO

DOS

IR

Vibrations