Geometry & MOs

Info

ID:	243711
PubChem CID:	99234206
Reduced:	N2O5C21H32 (1)
Stoich.:	A2B5C21D32 (1)
Weight, g/mol:	454.229014
ΔH_f, kcal/mol:	-230.2
Dipole, Da:	3.99
IP(EA), eV:	-8.88(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-(2-benzhydrylsulfanylacetyl)piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1OC)C(=O)N2CCC[C@H](C2)CNC(=O)OC(C)(C)C)OC

DOS

IR

Vibrations