Geometry & MOs

Info

ID:	173009
PubChem CID:	75583504
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	457.127169
ΔH_f, kcal/mol:	-7.15
Dipole, Da:	7.96
IP(EA), eV:	-8.94(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-difluorophenyl)methyl]-2-[3-(2,3-dimethylphenyl)-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2CC3C(=O)N(N=CN3N2)CC(=O)NC4=C(C=CC=C4C)C

DOS

IR

Vibrations