Geometry & MOs

Info

ID:	307912
PubChem CID:	125310721
Reduced:	SN3O3H7C12 (1)
Stoich.:	AB3C3D7E12 (1)
Weight, g/mol:	492.298808
ΔH_f, kcal/mol:	-12.2
Dipole, Da:	3.84
IP(EA), eV:	-9.64(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2S,5R,10S,14S,15R,20S)-8-cyano-1,2,6,10,17,17-hexamethyl-7,13-dioxo-6-azapentacyclo[12.8.0.02,11.05,10.015,20]docosa-8,11-diene-20-carboxylate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NSC3=C2N=C[C@H](C3=O)C(=O)O

DOS

IR

Vibrations