Geometry & MOs

Info

ID:	237236
PubChem CID:	92717978
Reduced:	OSN3H10C11 (2)
Stoich.:	ABC3D10E11 (2)
Weight, g/mol:	464.108916
ΔH_f, kcal/mol:	74.46
Dipole, Da:	6.29
IP(EA), eV:	-8.49(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-indol-3-ylidene-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2C(=C3C=NC4=CC=CC=C43)NN=C2SCC5=NC(=O)C6=C(N5)C=CS6

DOS

IR

Vibrations