Geometry & MOs

Info

ID:	395059
PubChem CID:	135024532
Reduced:	SiO4C31H40 (1)
Stoich.:	AB4C31D40 (1)
Weight, g/mol:	526.213758
ΔH_f, kcal/mol:	-115.85
Dipole, Da:	5.2
IP(EA), eV:	-8.85(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S,8R,9R)-13-(4-nitrophenyl)sulfonyl-8-phenylmethoxy-13-azatricyclo[7.7.0.01,6]hexadec-3-en-2-ol

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CC2CC3CCC2(C1C3=O)CCCO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C

DOS

IR

Vibrations