Geometry & MOs

Info

ID:	176937
PubChem CID:	76114759
Reduced:	NOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	456.208279
ΔH_f, kcal/mol:	-60.55
Dipole, Da:	4.72
IP(EA), eV:	-9.32(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-(3-benzylsulfanyl-4-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN1CCC(C1=O)CCC(=C)C

DOS

IR

Vibrations