Geometry & MOs

Info

ID:	223714
PubChem CID:	85335466
Reduced:	BrO2N6C24H31 (1)
Stoich.:	AB2C6D24E31 (1)
Weight, g/mol:	516.274798
ΔH_f, kcal/mol:	1.02
Dipole, Da:	5.1
IP(EA), eV:	-8.98(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-fluorophenyl)methyl]cyclobutyl]methyl N-[1,2-dioxo-1-[(6-oxo-1,2,3,3a,4,5,7,7a-octahydroindazol-3-yl)amino]heptan-3-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C1NC2C(CNN2)C(=O)N1CC3=CC=CC=C3)N(CCN)C(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations