Geometry & MOs

Info

ID:	34031
PubChem CID:	7889490
Reduced:	OS2F3N3H14C16 (1)
Stoich.:	AB2C3D3E14F16 (1)
Weight, g/mol:	400.102768
ΔH_f, kcal/mol:	-128.47
Dipole, Da:	3.27
IP(EA), eV:	-8.92(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC(F)(F)F)C)C(=O)CSC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations