Geometry & MOs

Info

ID:	437256
PubChem CID:	135219208
Reduced:	OF2N4H30C31 (1)
Stoich.:	AB2C4D30E31 (1)
Weight, g/mol:	571.207133
ΔH_f, kcal/mol:	-58.94
Dipole, Da:	2.77
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(N'-benzoylcarbamimidoyl)phenyl]methyl]-7-(2,4-difluorophenyl)-9,10-dihydroanthracene-2-carboxamide

Drug info:

PubChemData

Smile

CC1C2=C(C=C(C=C2)C(=O)NCC3=C(N=C(C=C3C)N)C)C(N1C)C4=CC=CC(=C4)C5=C(C=C(C=C5)F)F

DOS

IR

Vibrations