Geometry & MOs

Info

ID:	78136
PubChem CID:	49681709
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	375.141676
ΔH_f, kcal/mol:	-46.59
Dipole, Da:	0.73
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-fluorophenyl)-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C(=O)NCC2CCN(CC2)CC3=CSC=C3

DOS

IR

Vibrations