Geometry & MOs

Info

ID:	81190
PubChem CID:	49854447
Reduced:	SO2F3N5H14C17 (1)
Stoich.:	AB2C3D5E14F17 (1)
Weight, g/mol:	533.347824
ΔH_f, kcal/mol:	-119.29
Dipole, Da:	4.92
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[[bis(1H-imidazol-2-ylmethyl)amino]methyl]phenyl]methyl]-8-pentan-3-yl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC=C1NC2=NC(=NC=C2F)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations