Geometry & MOs

Info

ID:	184864
PubChem CID:	77221435
Reduced:	SN3O7C22H33 (1)
Stoich.:	AB3C7D22E33 (1)
Weight, g/mol:	527.28964
ΔH_f, kcal/mol:	-296.62
Dipole, Da:	7.47
IP(EA), eV:	-9.53(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-(5-cyclohexylpyridine-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-methyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)OC2C(NNC(=O)C2C3=CC=C(C=C3)S(=O)(=O)C)CO

DOS

IR

Vibrations