Geometry & MOs

Info

ID:	344343
PubChem CID:	127267519
Reduced:	OSN5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	317.119798
ΔH_f, kcal/mol:	9.1
Dipole, Da:	2.37
IP(EA), eV:	-9.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=NS1)C(=O)N2CCC(CC2)CC3=NC(=NN3)C(C)C

DOS

IR

Vibrations