Geometry & MOs

Info

ID:	389055
PubChem CID:	134991010
Reduced:	NI2O5H13C16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	427.235873
ΔH_f, kcal/mol:	-119.23
Dipole, Da:	6.6
IP(EA), eV:	-8.79(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CC(C(=O)O)NC=O)I

DOS

IR

Vibrations