Geometry & MOs

Info

ID:	78167
PubChem CID:	49681754
Reduced:	SN4O4C20H24 (1)
Stoich.:	AB4C4D20E24 (1)
Weight, g/mol:	416.151826
ΔH_f, kcal/mol:	-49.33
Dipole, Da:	7.11
IP(EA), eV:	-9.03(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-methyl-5-nitrophenyl)-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(=O)NCC2CCN(CC2)CC3=CSC=C3

DOS

IR

Vibrations