Geometry & MOs

Info

ID:	170844
PubChem CID:	75285885
Reduced:	S2N3O4H20C21 (1)
Stoich.:	A2B3C4D20E21 (1)
Weight, g/mol:	431.077362
ΔH_f, kcal/mol:	-81.42
Dipole, Da:	0.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.920808
Charge, e:	0

Chem-info

IUPAC name:

2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C[N+]2=C3C=CSC3C(=O)N(C2=O)CCC4=CC=CS4

DOS

IR

Vibrations