Geometry & MOs

Info

ID:	154490
PubChem CID:	56313941
Reduced:	FNSO2C21H22 (1)
Stoich.:	ABCD2E21F22 (1)
Weight, g/mol:	462.06914
ΔH_f, kcal/mol:	-81.39
Dipole, Da:	2.16
IP(EA), eV:	-8.91(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(1-methylindol-3-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=C(C2=C(C=CC=C2S1)F)COC)C3=CC=CC=C3

DOS

IR

Vibrations