Geometry & MOs

Info

ID:	321085
PubChem CID:	126664680
Reduced:	SF2N4O4C29H42 (1)
Stoich.:	AB2C4D4E29F42 (1)
Weight, g/mol:	388.06472
ΔH_f, kcal/mol:	-248.96
Dipole, Da:	1.22
IP(EA), eV:	-8.66(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminopropylamino)-3-(5-bromo-1H-indol-2-yl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@H]([C@H](C1=CC=C(C=C1)F)[C@@H](C(=O)NC2=C(C(=CC=C2)F)CCC3CN[C@@H]4CCCS(N3C4)(O)O)N)OC

DOS

IR

Vibrations