Geometry & MOs

Info

ID:	202425
PubChem CID:	79671176
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	278.166414
ΔH_f, kcal/mol:	-136.04
Dipole, Da:	5.35
IP(EA), eV:	-9.68(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydroxypropylsulfanyl)-2-methyl-2-(propylamino)pentanamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)N2CCOC(C2)C#N)CC(=O)O

DOS

IR

Vibrations