Geometry & MOs

Info

ID:	78161
PubChem CID:	49681748
Reduced:	ClFSO2N3C19H21 (1)
Stoich.:	ABCD2E3F19G21 (1)
Weight, g/mol:	414.172562
ΔH_f, kcal/mol:	-87.43
Dipole, Da:	3.91
IP(EA), eV:	-8.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C(=O)NC2=CC(=C(C=C2)F)Cl)CC3=CSC=C3

DOS

IR

Vibrations