Geometry & MOs

Info

ID:	158058
PubChem CID:	56459448
Reduced:	OSN3C23H35 (1)
Stoich.:	ABC3D23E35 (1)
Weight, g/mol:	339.186815
ΔH_f, kcal/mol:	-61.55
Dipole, Da:	2.8
IP(EA), eV:	-8.7(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[2-(1-adamantyl)ethylamino]-3-oxopropyl]sulfanylacetate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCC(CC2)C(=O)NCCC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations