Geometry & MOs

Info

ID:	424593
PubChem CID:	135123254
Reduced:	BrFNSO2C10H11 (1)
Stoich.:	ABCDE2F10G11 (1)
Weight, g/mol:	646.31552
ΔH_f, kcal/mol:	-88.09
Dipole, Da:	4.54
IP(EA), eV:	-8.95(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-6-[1'-[(4-methoxyphenyl)methyl]-2'-oxo-5'-(2-phenylpyrazol-3-yl)spiro[cyclobutane-1,3'-indole]-7'-yl]oxy-2-azaspiro[3.3]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C)CNS(=O)(=O)C1=C(C=CC(=C1)F)Br

DOS

IR

Vibrations