Geometry & MOs

Info

ID:	189360
PubChem CID:	77844596
Reduced:	Br2N3O5C21H21 (1)
Stoich.:	A2B3C5D21E21 (1)
Weight, g/mol:	416.13184
ΔH_f, kcal/mol:	-112.82
Dipole, Da:	6.01
IP(EA), eV:	-8.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)OC3=C(C=C(C=C3Br)NC(=O)/C=N/O)Br)O

DOS

IR

Vibrations