Geometry & MOs

Info

ID:	427110
PubChem CID:	135155543
Reduced:	SO2N3C23H33 (1)
Stoich.:	AB2C3D23E33 (1)
Weight, g/mol:	694.195401
ΔH_f, kcal/mol:	-52.24
Dipole, Da:	2.95
IP(EA), eV:	-7.86(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-carbamoyl-1-[3-[4-(4-chlorophenyl)phenyl]-2-[(6-cyclopentyloxynaphthalen-2-yl)-sulfinatoamino]-3,3-difluoropropanoyl]piperidine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(CCC3)C(=N2)NCCSC)OCCCN4CCCC4

DOS

IR

Vibrations