Geometry & MOs

Info

ID:	43272
PubChem CID:	10320536
Reduced:	O3N5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	431.189672
ΔH_f, kcal/mol:	28.69
Dipole, Da:	8.39
IP(EA), eV:	-9.3(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[3-[[4-(2-fluorophenyl)phenyl]methyl-(2-methylpropanoyl)amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NCCN4CCCC4

DOS

IR

Vibrations