Geometry & MOs

Info

ID:	404753
PubChem CID:	135070516
Reduced:	SiN2O6C34H44 (1)
Stoich.:	AB2C6D34E44 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	-224.39
Dipole, Da:	4.17
IP(EA), eV:	-8.95(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-5-benzyl-5-isocyano-4-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC(CCCCC(=O)N(C)OC)N(C=O)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations