Geometry & MOs

Info

ID:	141832
PubChem CID:	52936038
Reduced:	F4N5H17C21 (1)
Stoich.:	A4B5C17D21 (1)
Weight, g/mol:	363.019288
ΔH_f, kcal/mol:	-100.54
Dipole, Da:	2.23
IP(EA), eV:	-8.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chloropyridin-3-yl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(NC=C2CC3=C(N=C(C=C3)NCC4=C(C=CN=C4)C(F)(F)F)F)N=C1

DOS

IR

Vibrations