Geometry & MOs

Info

ID:	188566
PubChem CID:	77735224
Reduced:	F3O4N5H14C24 (1)
Stoich.:	A3B4C5D14E24 (1)
Weight, g/mol:	440.07087
ΔH_f, kcal/mol:	-114.61
Dipole, Da:	8.35
IP(EA), eV:	-10.13(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-4-bromo-N-[4-cyano-2-(tetrazolidin-5-yl)phenyl]-1-methylindole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC3=C(C=C2)C(=NO3)C(=O)NC4=C(C=C(C=C4)C#N)C5NC(=O)ON5)C(F)(F)F

DOS

IR

Vibrations