Geometry & MOs

Info

ID:	41827
PubChem CID:	8147197
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	413.086784
ΔH_f, kcal/mol:	-16.87
Dipole, Da:	5.01
IP(EA), eV:	-8.67(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations