Geometry & MOs

Info

ID:	189215
PubChem CID:	77828039
Reduced:	S2N4O5C20H32 (1)
Stoich.:	A2B4C5D20E32 (1)
Weight, g/mol:	447.180347
ΔH_f, kcal/mol:	-196.1
Dipole, Da:	6.56
IP(EA), eV:	-9.41(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations