Geometry & MOs

Info

ID:	158764
PubChem CID:	56468353
Reduced:	ClFO2N7H15C19 (1)
Stoich.:	ABC2D7E15F19 (1)
Weight, g/mol:	430.122338
ΔH_f, kcal/mol:	47.49
Dipole, Da:	6.92
IP(EA), eV:	-9.66(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)Cl)F

DOS

IR

Vibrations