Geometry & MOs

Info

ID:	144295
PubChem CID:	53346070
Reduced:	SF3O4N6H29C30 (1)
Stoich.:	AB3C4D6E29F30 (1)
Weight, g/mol:	547.128981
ΔH_f, kcal/mol:	-240.8
Dipole, Da:	2.49
IP(EA), eV:	-8.56(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-anilino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCC(CC3)OC(=O)C)C(F)(F)F)NC(=O)C4=CSC5=C4N=CN=C5N

DOS

IR

Vibrations