Geometry & MOs

Info

ID:	403783
PubChem CID:	135061798
Reduced:	N2O4Cl6H22C27 (1)
Stoich.:	A2B4C6D22E27 (1)
Weight, g/mol:	377.177083
ΔH_f, kcal/mol:	-126.79
Dipole, Da:	7.45
IP(EA), eV:	-9.06(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-dimethyl-[[(2S)-5-(4-nitropyrrolo[2,3-b]pyridin-1-yl)oxolan-2-yl]methoxy]silane

Drug info:

PubChemData

Smile

C[C@]1([C@@H]([C@H](OC1N2C=CC3=C(N=C(C=C32)Cl)Cl)COCC4=C(C=C(C=C4)Cl)Cl)OCC5=C(C=C(C=C5)Cl)Cl)O

DOS

IR

Vibrations