Geometry & MOs

Info

ID:	78166
PubChem CID:	49681753
Reduced:	SN4O4C20H24 (1)
Stoich.:	AB4C4D20E24 (1)
Weight, g/mol:	416.151826
ΔH_f, kcal/mol:	-49.89
Dipole, Da:	5.32
IP(EA), eV:	-8.87(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations