Geometry & MOs

Info

ID:	343530
PubChem CID:	127266703
Reduced:	O3N5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	349.109627
ΔH_f, kcal/mol:	-74.13
Dipole, Da:	3.84
IP(EA), eV:	-9.39(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]phenoxy]-4-methylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)NC2CCOC(C2)C3=CN(N=C3)C

DOS

IR

Vibrations