Geometry & MOs

Info

ID:	311535
PubChem CID:	126593608
Reduced:	BrFSN4O4H16C17 (1)
Stoich.:	ABCD4E4F16G17 (1)
Weight, g/mol:	506.0965
ΔH_f, kcal/mol:	-94.18
Dipole, Da:	7.24
IP(EA), eV:	-9.34(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-bromo-4-fluorophenyl)imino-2-(hydroxyamino)acetyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)NO)C3=NC=C(S3)C(=O)O

DOS

IR

Vibrations