Geometry & MOs

Info

ID:	144426
PubChem CID:	53366555
Reduced:	FOCl2N2S2H15C21 (1)
Stoich.:	ABC2D2E2F15G21 (1)
Weight, g/mol:	396.085639
ΔH_f, kcal/mol:	-20.42
Dipole, Da:	3.82
IP(EA), eV:	-8.83(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-2-[(7-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCN2C(=O)C3=C(C=CS3)N=C2SCC4=C(C=C(C=C4)F)Cl)Cl

DOS

IR

Vibrations