Geometry & MOs

Info

ID:	438626
PubChem CID:	135228370
Reduced:	NO2C37H67 (1)
Stoich.:	AB2C37D67 (1)
Weight, g/mol:	395.253255
ΔH_f, kcal/mol:	-210.53
Dipole, Da:	3.78
IP(EA), eV:	-8.15(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[4-[3-hydroxy-3-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]propyl]triazol-1-yl]-4-methyl-3-oxopentan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCC(CCCCCC)C(=O)OCC1=CC=C(C=C1)NC(CCCCCCC)CCCCCCC

DOS

IR

Vibrations