Geometry & MOs

Info

ID:	398150
PubChem CID:	135031998
Reduced:	N2S2F3O5C13H15 (1)
Stoich.:	A2B2C3D5E13F15 (1)
Weight, g/mol:	316.105922
ΔH_f, kcal/mol:	-356.06
Dipole, Da:	3.82
IP(EA), eV:	-9.24(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,9bS)-1,3-diacetyl-6-hydroxy-9-methyl-4,9b-dihydro-3aH-benzo[e]benzimidazole-2,5-dione

Drug info:

PubChemData

Smile

CCOC(=S)S[C@@H]1[C@H](N(C(=O)N1C(=O)C)C(=O)C)CC(=O)C(F)(F)F

DOS

IR

Vibrations