Geometry & MOs

Info

ID:	441554
PubChem CID:	135236128
Reduced:	SF2O3N4H16C21 (1)
Stoich.:	AB2C3D4E16F21 (1)
Weight, g/mol:	653.08069
ΔH_f, kcal/mol:	-119.2
Dipole, Da:	3.34
IP(EA), eV:	-8.72(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-5-[2-[3-ethoxy-5-(trifluoromethoxy)phenyl]propan-2-yl]phenyl]-6-(methanesulfonamido)indole-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC2=C(C=C1)C=C(N2C3=NC=CC(=C3)C4=C(C=C(C=C4)F)F)C(=O)N

DOS

IR

Vibrations