Geometry & MOs

Info

ID:	42195
PubChem CID:	8149292
Reduced:	OSN2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	410.087118
ΔH_f, kcal/mol:	-5.56
Dipole, Da:	4.68
IP(EA), eV:	-8.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NC4=CC(=CC=C4)NC(=O)C

DOS

IR

Vibrations