Geometry & MOs

Info

ID:	388884
PubChem CID:	134990522
Reduced:	O5C21H22 (1)
Stoich.:	A5B21C22 (1)
Weight, g/mol:	429.251523
ΔH_f, kcal/mol:	-167.94
Dipole, Da:	2.62
IP(EA), eV:	-9.29(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1S,2S,4R,8S,9S,13S,16S,18S)-16-hydroxy-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,11-dien-8-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1CC2=CC=CC=C2)C(=O)C(=O)OCC

DOS

IR

Vibrations