Geometry & MOs

Info

ID:	78482
PubChem CID:	49693243
Reduced:	ClFSN2O2C18H18 (1)
Stoich.:	ABCD2E2F18G18 (1)
Weight, g/mol:	384.148535
ΔH_f, kcal/mol:	-88.78
Dipole, Da:	6.31
IP(EA), eV:	-9.28(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2=CC=C(S2)Cl)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations