Geometry & MOs

Info

ID:	40861
PubChem CID:	8144860
Reduced:	OS2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	353.158685
ΔH_f, kcal/mol:	50.2
Dipole, Da:	4.55
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(propanoylamino)-N-[(Z)-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexylidene]amino]benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC2=NN(C(=S)O2)CN3CCC(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations