Geometry & MOs

Info

ID:	398560
PubChem CID:	135033886
Reduced:	N2O5C10H13 (2)
Stoich.:	A2B5C10D13 (2)
Weight, g/mol:	424.120526
ΔH_f, kcal/mol:	-382.57
Dipole, Da:	6.31
IP(EA), eV:	-9.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(dimethylamino)-6-(4-nitrophenyl)imino-4-phenyl-1,3-thiazine-5-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=NC3=C2N=CN(C3=O)COCCOC)OC(=O)C)OC(=O)C

DOS

IR

Vibrations