Geometry & MOs

Info

ID:	321186
PubChem CID:	126665139
Reduced:	BrSN2O2C17H17 (1)
Stoich.:	ABC2D2E17F17 (1)
Weight, g/mol:	371.105211
ΔH_f, kcal/mol:	2.11
Dipole, Da:	5.48
IP(EA), eV:	-8.99(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-[(4-methyl-2H-pyrimidin-1-yl)sulfonyl]pyridin-3-yl]pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)Br)NS(=O)(=O)/C(=C\C2=CC=CC=C2)/CC=C

DOS

IR

Vibrations