Geometry & MOs

Info

ID:	271759
PubChem CID:	103691094
Reduced:	NCl2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	315.110456
ΔH_f, kcal/mol:	-122.09
Dipole, Da:	4.52
IP(EA), eV:	-9.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC(=O)CCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations