Geometry & MOs

Info

ID:	175056
PubChem CID:	75849953
Reduced:	N2O3C18H28 (1)
Stoich.:	A2B3C18D28 (1)
Weight, g/mol:	457.129398
ΔH_f, kcal/mol:	-118.06
Dipole, Da:	2.56
IP(EA), eV:	-8.15(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-[(2-fluorophenyl)sulfanylmethyl]-5-methyl-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCOCCOC(C)C(=O)N1CCN(CC1)C2=CC=CC(=C2)C

DOS

IR

Vibrations