Geometry & MOs

Info

ID:	78139
PubChem CID:	49681714
Reduced:	O2S2N3C18H23 (1)
Stoich.:	A2B2C3D18E23 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-29.4
Dipole, Da:	1.94
IP(EA), eV:	-8.87(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C(=O)NCC2=CC=CS2)CC3=CSC=C3

DOS

IR

Vibrations