Geometry & MOs

Info

ID:	244594
PubChem CID:	99368096
Reduced:	SO2N6C24H32 (1)
Stoich.:	AB2C6D24E32 (1)
Weight, g/mol:	411.172896
ΔH_f, kcal/mol:	-34.44
Dipole, Da:	6.99
IP(EA), eV:	-8.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4,5-dimethyl-N-[3-oxo-3-(pyridin-3-ylamino)propyl]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)C)C(C)(C)C)C(=O)N3CCC(CC3)CNC(=O)C4=CN(N=C4)C

DOS

IR

Vibrations