Geometry & MOs

Info

ID:	192531
PubChem CID:	78281725
Reduced:	SO3N8C22H24 (1)
Stoich.:	AB3C8D22E24 (1)
Weight, g/mol:	403.99592
ΔH_f, kcal/mol:	9.65
Dipole, Da:	3.87
IP(EA), eV:	-9.51(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(4-oxo-5-thiophen-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CCN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=NN3C4=CC=CC=C4

DOS

IR

Vibrations