Geometry & MOs

Info

ID:	447610
PubChem CID:	135284218
Reduced:	O2S2N4C23H26 (1)
Stoich.:	A2B2C4D23E26 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	0.92
Dipole, Da:	11.11
IP(EA), eV:	-8.92(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-ethyl-4-[(4-methoxyphenyl)methoxy]-6-methylpyrimidin-2-yl] 5-methyl-1H-pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C2=CC=CC=C2)C3CCCC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=NS5

DOS

IR

Vibrations