Geometry & MOs

Info

ID:	154599
PubChem CID:	56314069
Reduced:	BrNOC21H28 (1)
Stoich.:	ABCD21E28 (1)
Weight, g/mol:	456.05972
ΔH_f, kcal/mol:	-70.42
Dipole, Da:	5.75
IP(EA), eV:	-9.47(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-4-(dimethylamino)-3-fluorobenzamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C12CC3CC(C1)CC(C3)(C2)Br)C4=CC=CC=C4

DOS

IR

Vibrations