Geometry & MOs

Info

ID:	224072
PubChem CID:	85337823
Reduced:	BrNS2O6C22H32 (1)
Stoich.:	ABC2D6E22F32 (1)
Weight, g/mol:	560.332233
ΔH_f, kcal/mol:	-250.97
Dipole, Da:	3.46
IP(EA), eV:	-9.39(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4,7-diethoxy-1-methylbenzimidazol-2-yl)-2,2-dimethylpropyl] N-[1,2-dioxo-1-(pyrazolidin-3-ylamino)heptan-3-yl]carbamate

Drug info:

PubChemData

Smile

CS(=O)(=O)NC(=O)CCCC=CCC1C(CC(C1C=CC(CCC2=CC=C(S2)Br)O)O)O

DOS

IR

Vibrations