Geometry & MOs

Info

ID:	175567
PubChem CID:	75922348
Reduced:	ClSN2O3C22H27 (1)
Stoich.:	ABC2D3E22F27 (1)
Weight, g/mol:	415.208276
ΔH_f, kcal/mol:	-101.4
Dipole, Da:	3.54
IP(EA), eV:	-8.65(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-oxo-1-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN(C(C)C(C)C)C(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC3=CC=CC=C32

DOS

IR

Vibrations