Geometry & MOs

Info

ID:	412273
PubChem CID:	135085158
Reduced:	NSiO2C24H26 (1)
Stoich.:	ABC2D24E26 (1)
Weight, g/mol:	389.181106
ΔH_f, kcal/mol:	-33.83
Dipole, Da:	2.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.955000
Charge, e:	0

Chem-info

IUPAC name:

[(5E)-5-[(4S)-4-tert-butyl-1,3-oxazolidin-2-ylidene]cyclopenta-1,3-dien-1-yl]-hydroxy-diphenylsilane

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1CO/C(=C/2\C=CC=C2[Si](C3=CC=CC=C3)(C4=CC=CC=C4)O)/[N-]1

DOS

IR

Vibrations