Geometry & MOs

Info

ID:	434654
PubChem CID:	135175415
Reduced:	ClSF2N3O5C30H38 (1)
Stoich.:	ABC2D3E5F30G38 (1)
Weight, g/mol:	451.189433
ΔH_f, kcal/mol:	-287.08
Dipole, Da:	8.15
IP(EA), eV:	-9.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-amino-3,3-difluoro-3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(C(C(=O)N2C3CCC2CC(C3)N)NS(=O)(=O)C4=CC=C(C=C4)OCC5CCCCC5)(F)F)Cl

DOS

IR

Vibrations