Geometry & MOs

Info

ID:	160570
PubChem CID:	57389075
Reduced:	SO3F4N6C30H30 (1)
Stoich.:	AB3C4D6E30F30 (1)
Weight, g/mol:	488.057359
ΔH_f, kcal/mol:	-224.6
Dipole, Da:	4.6
IP(EA), eV:	-8.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,6-dichlorophenyl)methoxy]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC(=C3)F)C4=NC(=C(C=C4F)F)N[C@H]5CCC[C@H](C5)NC(=O)N6CC[C@@H](C6)F

DOS

IR

Vibrations