Geometry & MOs

Info

ID:	447571
PubChem CID:	135283910
Reduced:	S2N4O5C31H34 (1)
Stoich.:	A2B4C5D31E34 (1)
Weight, g/mol:	363.144613
ΔH_f, kcal/mol:	-88.4
Dipole, Da:	11.51
IP(EA), eV:	-8.71(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-(difluoromethyl)-2-(4-fluorophenyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN(C2=NC=NS2)S(=O)(=O)C3=CC4=C(C=C3)C(CCO4)N5CCCC[C@H]5C6=CC=CC=C6)OC

DOS

IR

Vibrations