Geometry & MOs

Info

ID:	290114
PubChem CID:	104410339
Reduced:	SN3O3C12H17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	295.16444
ΔH_f, kcal/mol:	-108.19
Dipole, Da:	4.28
IP(EA), eV:	-9.02(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[[6-(methylamino)-3-nitropyridin-2-yl]amino]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1)NC2=NC(=CS2)CC(=O)O

DOS

IR

Vibrations