Geometry & MOs

Info

ID:	425945
PubChem CID:	135133217
Reduced:	F3N10C17H17 (1)
Stoich.:	A3B10C17D17 (1)
Weight, g/mol:	461.152161
ΔH_f, kcal/mol:	27.14
Dipole, Da:	10.39
IP(EA), eV:	-9.16(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-(methanesulfonamido)phenyl]-1H-pyrazol-5-yl]-N-(2-pyridin-2-ylethyl)benzamide

Drug info:

PubChemData

Smile

CCC(C1=N/C(=C(/N)\N=C/N)/C(=C1C#N)C2=CN=C(N=C2)C(F)(F)F)/C(=N/N)/C=N

DOS

IR

Vibrations