Geometry & MOs

Info

ID:	44303
PubChem CID:	10502616
Reduced:	NPSiO4C21H38 (1)
Stoich.:	ABCD4E21F38 (1)
Weight, g/mol:	427.196986
ΔH_f, kcal/mol:	-285.7
Dipole, Da:	2.87
IP(EA), eV:	-8.8(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3,4-diphenyl-1-(5-phenylsulfanylpentyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@H](N1CC2=CC=CC=C2)CP(=O)(OC)OC

DOS

IR

Vibrations