Geometry & MOs

Info

ID:	157375
PubChem CID:	56423136
Reduced:	SN2O3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	416.234493
ΔH_f, kcal/mol:	-78.14
Dipole, Da:	3.95
IP(EA), eV:	-9.03(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[3-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]piperidin-1-yl]-3-oxopropyl]sulfanylacetate

Drug info:

PubChemData

Smile

COC(=O)CSCCC(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations