Geometry & MOs

Info

ID:	160883
PubChem CID:	57390122
Reduced:	ION5H14C21 (1)
Stoich.:	ABC5D14E21 (1)
Weight, g/mol:	398.120132
ΔH_f, kcal/mol:	112.12
Dipole, Da:	3.16
IP(EA), eV:	-8.93(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indol-2-yl-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2)C(=O)C3=CC4=C(N3)N=CN=C4NC5=CC(=CC=C5)I

DOS

IR

Vibrations