Geometry & MOs

Info

ID:	271767
PubChem CID:	103691170
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	315.110456
ΔH_f, kcal/mol:	-64.21
Dipole, Da:	4.76
IP(EA), eV:	-9.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)sulfanyl-N-[(3-hydroxycyclohexyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC(=O)CC2=CN3C=CC=CC3=N2

DOS

IR

Vibrations