Geometry & MOs

Info

ID:	56088
PubChem CID:	17404326
Reduced:	SO3N5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	480.128983
ΔH_f, kcal/mol:	22.32
Dipole, Da:	4.65
IP(EA), eV:	-8.73(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-2-[methyl-[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)CSC3=NN=C(N3C4CC4)C5CC5

DOS

IR

Vibrations