Geometry & MOs

Info

ID:	196920
PubChem CID:	78895806
Reduced:	NSCl2O3C16H19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	411.244582
ΔH_f, kcal/mol:	-117.6
Dipole, Da:	4.33
IP(EA), eV:	-10.11(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)NC(=O)C3CC3(Cl)Cl

DOS

IR

Vibrations