Geometry & MOs

Info

ID:	343450
PubChem CID:	127266623
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	269.119798
ΔH_f, kcal/mol:	-20.71
Dipole, Da:	5.59
IP(EA), eV:	-8.88(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylsulfanyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CN2C=NC=C2CC1NC(=O)C=CC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations