Geometry & MOs

Info

ID:	135566
PubChem CID:	51894099
Reduced:	O3N5H16C18 (1)
Stoich.:	A3B5C16D18 (1)
Weight, g/mol:	391.107616
ΔH_f, kcal/mol:	24.89
Dipole, Da:	1.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.956986
Charge, e:	-1

Chem-info

IUPAC name:

N-[4-[[2-(6-oxo-4-propylpyrimidin-1-yl)acetyl]amino]phenyl]sulfonylethanimidate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCCNC(=O)C3=NN=C(C=C3)[O-]

DOS

IR

Vibrations