Geometry & MOs

Info

ID:	124928
PubChem CID:	50904253
Reduced:	NC17H27 (1)
Stoich.:	AB17C27 (1)
Weight, g/mol:	375.096286
ΔH_f, kcal/mol:	27.48
Dipole, Da:	1.35
IP(EA), eV:	-8.51(1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,9R,10S,11S)-9-(3-ethoxy-4-hydroxyphenyl)-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-one

Drug info:

PubChemData

Smile

CN(CC#C[C@H]1C[C@@H]2CC[C@@H]1C2)C3CCCCC3

DOS

IR

Vibrations