Geometry & MOs

Info

ID:	193703
PubChem CID:	78426816
Reduced:	F2O3N4H26C30 (1)
Stoich.:	A2B3C4D26E30 (1)
Weight, g/mol:	449.148789
ΔH_f, kcal/mol:	-88.92
Dipole, Da:	3.81
IP(EA), eV:	-8.83(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[4-(hydroxycarbamoyl)phenyl]methylideneamino]-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC(=C3C(=C2)N(C4=C3C=C(C=C4)C(=O)N5CC(C5)F)C(C)C6=CC=C(C=C6)F)C(=O)N

DOS

IR

Vibrations