Geometry & MOs

Info

ID:	46382
PubChem CID:	10524155
Reduced:	NSiO4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	385.20755
ΔH_f, kcal/mol:	-169.74
Dipole, Da:	6.14
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,10S)-15-hexyl-4,5-dimethoxy-16-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaene

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=C(C=CC(=C1)OC)C(=O)CC(=O)C2=CN=CC=C2

DOS

IR

Vibrations