Geometry & MOs

Info

ID:	229144
PubChem CID:	87567053
Reduced:	BrNPF2O4C22H27 (1)
Stoich.:	ABCD2E4F22G27 (1)
Weight, g/mol:	586.13732
ΔH_f, kcal/mol:	-315.01
Dipole, Da:	2.85
IP(EA), eV:	-9.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoroethyl-dimethyl-[[5-[[[(2S)-3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanoyl]amino]methyl]furan-2-yl]methyl]azanium;bromide

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=C(C=C(C=C1)C(=O)NCCCCC2=CC=CC=C2)Br)(F)F)O

DOS

IR

Vibrations