Geometry & MOs

Info

ID:	305268
PubChem CID:	124767848
Reduced:	BrO2N4C18H29 (1)
Stoich.:	AB2C4D18E29 (1)
Weight, g/mol:	352.224974
ΔH_f, kcal/mol:	-70.66
Dipole, Da:	3.95
IP(EA), eV:	-9.12(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R,8R,9R,10R,11S,13S,14S,16R)-2,8,11,16-tetrahydroxy-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadecan-15-one

Drug info:

PubChemData

Smile

CC1([C@H](OC(C(C1(C)C)(C)C)(C)C)N2[C@H]3[C@H](C(=O)NC=N3)C(=N2)Br)C

DOS

IR

Vibrations