Geometry & MOs

Info

ID:	604
PubChem CID:	3064
Reduced:	NO5C29H39 (1)
Stoich.:	AB5C29D39 (1)
Weight, g/mol:	481.282823
ΔH_f, kcal/mol:	-208.28
Dipole, Da:	2.07
IP(EA), eV:	-9.46(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicos-12-ene-3,21-dione

Drug info:

PubChemData

Smile

CC1CCCC(CCC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)O

DOS

IR

Vibrations