Geometry & MOs

Info

ID:	129501
PubChem CID:	51072857
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	-100.61
Dipole, Da:	1.82
IP(EA), eV:	-9.01(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)CSCC1=CC(=O)N2C=CC=C(C2=N1)C

DOS

IR

Vibrations