Geometry & MOs

Info

ID:	170849
PubChem CID:	75285926
Reduced:	S2N3O5H19C21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	455.097349
ΔH_f, kcal/mol:	-109.59
Dipole, Da:	1.5
IP(EA), eV:	-8.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C4C=CSC4C(=O)N(C3=O)CCC5=CC=CS5

DOS

IR

Vibrations