Geometry & MOs

Info

ID:	125475
PubChem CID:	50925797
Reduced:	SN3O5H23C24 (1)
Stoich.:	AB3C5D23E24 (1)
Weight, g/mol:	479.115107
ΔH_f, kcal/mol:	-129.31
Dipole, Da:	3.23
IP(EA), eV:	-8.86(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(2-methoxyphenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)CN2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4OC)SC=C3

DOS

IR

Vibrations