Geometry & MOs

Info

ID:	155840
PubChem CID:	56367770
Reduced:	ClF2N2S2O3H13C18 (1)
Stoich.:	AB2C2D2E3F13G18 (1)
Weight, g/mol:	421.203528
ΔH_f, kcal/mol:	-156.46
Dipole, Da:	11.16
IP(EA), eV:	-8.57(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetamido-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)NC(=O)C2=CC=CO2)C(=O)NC3=C(C(=CC=C3)Cl)SC(F)F

DOS

IR

Vibrations