Geometry & MOs

Info

ID:	233787
PubChem CID:	92098475
Reduced:	SN3O4C21H29 (1)
Stoich.:	AB3C4D21E29 (1)
Weight, g/mol:	445.128312
ΔH_f, kcal/mol:	-138.47
Dipole, Da:	7.99
IP(EA), eV:	-9.19(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6-methoxypyrazin-2-yl)oxycyclohexyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)S(=O)(=O)NC2CCC(CC2)OC3=NC(=CN=C3)OC)C)C

DOS

IR

Vibrations