Geometry & MOs

Info

ID:	435856
PubChem CID:	135192575
Reduced:	NO2C10H19 (1)
Stoich.:	AB2C10D19 (1)
Weight, g/mol:	450.195486
ΔH_f, kcal/mol:	-107.52
Dipole, Da:	6.27
IP(EA), eV:	-9.32(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,18Z)-18-butan-2-ylidene-5-ethyl-20-[(E)-2-fluoroethenyl]-5-hydroxy-7-oxa-11,21-diazapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(21),2,4(9),13,19-pentaene-6,10-dione

Drug info:

PubChemData

Smile

CCCN(C)C(=O)C(=C(C)C)CO

DOS

IR

Vibrations