Geometry & MOs

Info

ID:	419119
PubChem CID:	135107538
Reduced:	OSN4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	362.166414
ΔH_f, kcal/mol:	7.15
Dipole, Da:	2.18
IP(EA), eV:	-8.93(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(butylsulfanylmethyl)-N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-5-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)CC3=CSC(=N3)C

DOS

IR

Vibrations