Geometry & MOs

Info

ID:	404317
PubChem CID:	135065885
Reduced:	PSN2O6C30H31 (1)
Stoich.:	ABC2D6E30F31 (1)
Weight, g/mol:	438.173986
ΔH_f, kcal/mol:	-203.26
Dipole, Da:	6.2
IP(EA), eV:	-9.49(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[ethoxy(phenyl)phosphoryl]-2-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](CS(=O)(=O)NC(C2=CC=CC=C2)P(=O)(C3=CC=CC=C3)O)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations