Geometry & MOs

Info

ID:	426011
PubChem CID:	135134778
Reduced:	ClSO2N5H14C17 (1)
Stoich.:	ABC2D5E14F17 (1)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	43.12
Dipole, Da:	9.57
IP(EA), eV:	-8.65(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aS,5aS,6R,9aS,9bS)-3-acetyl-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2C(=NC3=CC(=NC=C3C(=N2)C4=CC=CC=C4Cl)S(=O)(=O)C)NN1

DOS

IR

Vibrations