Geometry & MOs

Info

ID:	46627
PubChem CID:	10525736
Reduced:	N2S3O5C16H16 (1)
Stoich.:	A2B3C5D16E16 (1)
Weight, g/mol:	412.297745
ΔH_f, kcal/mol:	-149.21
Dipole, Da:	3.89
IP(EA), eV:	-8.72(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R,8R,13R,14R,17R,18R,19R)-4,5,9,9,13-pentamethyl-20-oxahexacyclo[17.2.2.01,18.04,17.05,14.08,13]tricosane-10,21-dione

Drug info:

PubChemData

Smile

CS(=O)(=O)N(C1=C(C=C2C(=C1)CCC2=O)SC3=CN=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations