Geometry & MOs

Info

ID:	237235
PubChem CID:	92717972
Reduced:	SN3O6H19C22 (1)
Stoich.:	AB3C6D19E22 (1)
Weight, g/mol:	464.108916
ΔH_f, kcal/mol:	-95.74
Dipole, Da:	3.65
IP(EA), eV:	-9.4(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

DOS

IR

Vibrations