Geometry & MOs

Info

ID:	157436
PubChem CID:	56424139
Reduced:	O2N3F4H21C23 (1)
Stoich.:	A2B3C4D21E23 (1)
Weight, g/mol:	423.122833
ΔH_f, kcal/mol:	-208.67
Dipole, Da:	9.9
IP(EA), eV:	-9.6(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)NCC(C)(C)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations