Geometry & MOs

Info

ID:	297508
PubChem CID:	117619369
Reduced:	NO3C23H43 (2)
Stoich.:	AB3C23D43 (2)
Weight, g/mol:	387.116524
ΔH_f, kcal/mol:	-402.43
Dipole, Da:	2.61
IP(EA), eV:	-8.99(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluoroanilino]benzonitrile

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)OCCN(C(=O)CCN(CCO)C)CCOC(=O)CCCCCCC/C=C\CCCCCCCC

DOS

IR

Vibrations