Geometry & MOs

Info

ID:	63016
PubChem CID:	26738008
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	495.139483
ΔH_f, kcal/mol:	-71.31
Dipole, Da:	1.97
IP(EA), eV:	-8.77(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN2C=NC3=C(C2=O)SC4=C3C(=CC(=N4)C)C

DOS

IR

Vibrations