Geometry & MOs

Info

ID:	193622
PubChem CID:	78413918
Reduced:	O2N6C15H19 (1)
Stoich.:	A2B6C15D19 (1)
Weight, g/mol:	425.140927
ΔH_f, kcal/mol:	15.31
Dipole, Da:	2.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.865049
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(furan-2-ylmethyl)-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=[N+](C3C(=N2)N(C(=O)N(C3=O)CC=C)C)C)C

DOS

IR

Vibrations