Geometry & MOs

Info

ID:	189216
PubChem CID:	77828040
Reduced:	SF3N3O3C20H28 (1)
Stoich.:	AB3C3D3E20F28 (1)
Weight, g/mol:	426.224261
ΔH_f, kcal/mol:	-268.31
Dipole, Da:	4.1
IP(EA), eV:	-9.35(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-cyclobutyl-N-methyl-2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]acetamide

Drug info:

PubChemData

Smile

CN(C1CCC1)C(=O)C(C2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)N

DOS

IR

Vibrations