Geometry & MOs

Info

ID:	132368
PubChem CID:	51349839
Reduced:	ClNO2H18C25 (1)
Stoich.:	ABC2D18E25 (1)
Weight, g/mol:	356.089603
ΔH_f, kcal/mol:	2.0
Dipole, Da:	2.93
IP(EA), eV:	-8.79(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R,7R)-15-hydroxy-5,11-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,9,11,14,16,18-hexaen-13-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C4=CC=CC=C4C3(C5=CC=C(C=C5)Cl)O

DOS

IR

Vibrations