Geometry & MOs

Info

ID:	322737
PubChem CID:	126670937
Reduced:	BrN2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	556.198966
ΔH_f, kcal/mol:	-100.46
Dipole, Da:	8.71
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-2-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-[(3-chlorophenyl)methyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

CCCCOC(=O)CN1C=C(C2=C1C=CC(=C2)Br)C(=O)N

DOS

IR

Vibrations