Geometry & MOs

Info

ID:	41825
PubChem CID:	8147192
Reduced:	OSN3C25H27 (1)
Stoich.:	ABC3D25E27 (1)
Weight, g/mol:	413.086784
ΔH_f, kcal/mol:	36.49
Dipole, Da:	8.03
IP(EA), eV:	-9.18(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=C(C=C1)[C@H](C2=CC=CS2)N[C@@H](C)C3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations