Geometry & MOs

Info

ID:	382774
PubChem CID:	134974109
Reduced:	N2O3C30H41 (1)
Stoich.:	A2B3C30D41 (1)
Weight, g/mol:	416.314198
ΔH_f, kcal/mol:	-94.6
Dipole, Da:	4.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.929779
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1OC)C[N+]2=CC(=C(C=C2)C3=C(C=NC=C3)C)C)OCC)C(CC)CCCO

DOS

IR

Vibrations