Geometry & MOs

Info

ID:	311532
PubChem CID:	126593581
Reduced:	BrFSO3N4C14H18 (1)
Stoich.:	ABCD3E4F14G18 (1)
Weight, g/mol:	540.09322
ΔH_f, kcal/mol:	-67.79
Dipole, Da:	5.75
IP(EA), eV:	-8.17(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]piperidine-1-carbonyl]amino]-5-fluoropyrazol-1-yl]ethyl acetate

Drug info:

PubChemData

Smile

C1CC(CCN(C1)S(=O)N)C(=O)C(=NC2=CC(=C(C=C2)F)Br)NO

DOS

IR

Vibrations