Geometry & MOs

Info

ID:	135478
PubChem CID:	51878199
Reduced:	OSN2C9H11 (2)
Stoich.:	ABC2D9E11 (2)
Weight, g/mol:	409.091869
ΔH_f, kcal/mol:	-20.39
Dipole, Da:	4.38
IP(EA), eV:	-9.24(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@](C)(C#N)C(C)C)SC1=NC2=C(C=CS2)C(=O)N1CC=C

DOS

IR

Vibrations