Geometry & MOs

Info

ID:	140395
PubChem CID:	52690428
Reduced:	SF2N3O4C19H21 (1)
Stoich.:	AB2C3D4E19F21 (1)
Weight, g/mol:	437.185175
ΔH_f, kcal/mol:	-197.55
Dipole, Da:	4.78
IP(EA), eV:	-8.95(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(9-ethylcarbazol-3-yl)-2-(6-methyl-4-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1F)NC(=O)C2=CC=CC=C2S(=O)(=O)N3CCOCC3)F

DOS

IR

Vibrations