Geometry & MOs

Info

ID:	404410
PubChem CID:	135066176
Reduced:	PSN2O6C26H31 (1)
Stoich.:	ABC2D6E26F31 (1)
Weight, g/mol:	391.148105
ΔH_f, kcal/mol:	-242.71
Dipole, Da:	5.34
IP(EA), eV:	-9.41(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H](CS(=O)(=O)NC(C1=CC=CC=C1)P(=O)(C2=CC=CC=C2)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations