Geometry & MOs

Info

ID:	322713
PubChem CID:	126670868
Reduced:	OSN2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	600.205195
ΔH_f, kcal/mol:	-17.83
Dipole, Da:	4.15
IP(EA), eV:	-8.21(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)OC1=C(C=C(C=C1)C)N2CCSC2=N

DOS

IR

Vibrations