Geometry & MOs

Info

ID:	154275
PubChem CID:	56313685
Reduced:	BrFSO2N4H14C22 (1)
Stoich.:	ABCD2E4F14G22 (1)
Weight, g/mol:	475.06439
ΔH_f, kcal/mol:	-5.6
Dipole, Da:	5.74
IP(EA), eV:	-9.29(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC=C(S2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br)F

DOS

IR

Vibrations