Geometry & MOs

Info

ID:	148102
PubChem CID:	53787764
Reduced:	N2O3C43H81 (1)
Stoich.:	A2B3C43D81 (1)
Weight, g/mol:	409.109627
ΔH_f, kcal/mol:	-249.84
Dipole, Da:	2.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754057
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-oxo-N-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]-3H-1,2-benzothiazine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCC1=[N+](C(CN1)CCOC(=O)CCCCCCCC=CCCCCCCCC)CCO

DOS

IR

Vibrations