Geometry & MOs

Info

ID:	299036
PubChem CID:	117669443
Reduced:	PSO8N9C22H28 (1)
Stoich.:	ABC8D9E22F28 (1)
Weight, g/mol:	382.97695
ΔH_f, kcal/mol:	-258.14
Dipole, Da:	6.57
IP(EA), eV:	-9.51(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C)NP(=S)(OC[C@@]1(C(C([C@@H](O1)N2C=NC3=C2NC(=NC3=O)N)O)O)N=[N+]=[N-])OC4=CC=CC=C4

DOS

IR

Vibrations