Geometry & MOs

Info

ID:	81286
PubChem CID:	49854553
Reduced:	BrFSO2N5H15C17 (1)
Stoich.:	ABCD2E5F15G17 (1)
Weight, g/mol:	533.347824
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	7.57
IP(EA), eV:	-8.66(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-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=C2Br)NC3=CC=CC=C3F

DOS

IR

Vibrations