Geometry & MOs

Info

ID:	61090
PubChem CID:	26705516
Reduced:	BrNF3O4H17C18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	389.096476
ΔH_f, kcal/mol:	-272.19
Dipole, Da:	10.76
IP(EA), eV:	-9.08(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2,6-diethylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CC(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)OC)OC

DOS

IR

Vibrations