Geometry & MOs

Info

ID:	78165
PubChem CID:	49681752
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	416.151826
ΔH_f, kcal/mol:	-98.66
Dipole, Da:	1.49
IP(EA), eV:	-8.86(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CSC=C4

DOS

IR

Vibrations