Geometry & MOs

Info

ID:	31464
PubChem CID:	855752
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	333.078327
ΔH_f, kcal/mol:	-29.26
Dipole, Da:	4.18
IP(EA), eV:	-9.72(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)NCC2CCCCC2

DOS

IR

Vibrations