Geometry & MOs

Info

ID:	224690
PubChem CID:	85346895
Reduced:	SiN2O3C24H42 (1)
Stoich.:	AB2C3D24E42 (1)
Weight, g/mol:	435.125277
ΔH_f, kcal/mol:	-176.05
Dipole, Da:	3.26
IP(EA), eV:	-8.57(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3,3-dicyano-4-ethenyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]benzoate

Drug info:

PubChemData

Smile

CCC(C(C1=CC=CC=C1)N(N2CCCC2COC)[Si](C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations