Geometry & MOs

Info

ID:	438646
PubChem CID:	135228390
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	379.221954
ΔH_f, kcal/mol:	-95.13
Dipole, Da:	2.16
IP(EA), eV:	-9.7(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2R)-2-acetamido-3-oxopentyl]triazol-4-yl]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)C(C)NC(=O)CCC1=CN(N=N1)CC(=O)C

DOS

IR

Vibrations