Geometry & MOs

Info

ID:	219443
PubChem CID:	85148674
Reduced:	S2N5O5H19C23 (1)
Stoich.:	A2B5C5D19E23 (1)
Weight, g/mol:	509.277738
ΔH_f, kcal/mol:	-31.82
Dipole, Da:	5.21
IP(EA), eV:	-8.88(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16-benzyl-5,6,12-trihydroxy-5,7,13,14-tetramethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-2-yl) acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NN=C2C(=O)N(C(=S)N(C2=O)NS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations