Geometry & MOs

Info

ID:	414607
PubChem CID:	135087566
Reduced:	OSN5C16H17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	46.68
Dipole, Da:	5.39
IP(EA), eV:	-8.54(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2-methyl-4-oxo-1H-pyrimidin-6-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC(=C2C=CSC2=N1)N3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations