Geometry & MOs

Info

ID:	317633
PubChem CID:	126644634
Reduced:	NSF2O3H11C16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	346.04292
ΔH_f, kcal/mol:	-140.93
Dipole, Da:	2.25
IP(EA), eV:	-9.31(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CC1=CC=C(C=C1)OC2=NC3=CC(=C(C=C3S2)F)F

DOS

IR

Vibrations