Geometry & MOs

Info

ID:	234180
PubChem CID:	92297879
Reduced:	SF2O3N6H22C26 (1)
Stoich.:	AB2C3D6E22F26 (1)
Weight, g/mol:	419.95072
ΔH_f, kcal/mol:	-95.52
Dipole, Da:	6.22
IP(EA), eV:	-9.19(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4S,5R)-4,5-dibromo-2-(pyridin-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CN([C@H](C2=CC=C(C=C2)F)C(=O)NCC3=CC=C(C=C3)F)C(=O)C4=C(C(=NS4)C(=O)N)N

DOS

IR

Vibrations