Geometry & MOs

Info

ID:	311518
PubChem CID:	126592991
Reduced:	BrFO6N7C33H43 (1)
Stoich.:	ABC6D7E33F43 (1)
Weight, g/mol:	422.00597
ΔH_f, kcal/mol:	-254.63
Dipole, Da:	8.28
IP(EA), eV:	-8.66(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-bromo-4-fluorophenyl)-N-hydroxy-2-oxo-2-[(3S)-1-sulfamoylpiperidin-3-yl]ethanimidamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1(CC1)CN(C2=NC=C(C=C2)NC(=O)N3CCC(CC3)C(=O)C(=NC4=CC(=C(C=C4)F)Br)N)C(=O)OC(C)(C)C

DOS

IR

Vibrations