Geometry & MOs

Info

ID:	144296
PubChem CID:	53346071
Reduced:	SO2F3N5H20C28 (1)
Stoich.:	AB2C3D5E20F28 (1)
Weight, g/mol:	548.12423
ΔH_f, kcal/mol:	-110.89
Dipole, Da:	4.75
IP(EA), eV:	-8.58(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC(=O)C3=CSC4=C3N=CN=C4NC5=CC=CC=C5

DOS

IR

Vibrations