Geometry & MOs

Info

ID:	125473
PubChem CID:	50925646
Reduced:	N4O5C26H26 (1)
Stoich.:	A4B5C26D26 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-117.52
Dipole, Da:	1.61
IP(EA), eV:	-8.56(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C4=CC=CC=C4C(=O)N(C3=O)CC5=CC=CO5

DOS

IR

Vibrations