Geometry & MOs

Info

ID:	336002
PubChem CID:	127255009
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	393.252861
ΔH_f, kcal/mol:	-66.71
Dipole, Da:	2.69
IP(EA), eV:	-8.85(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylpyrrol-1-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3(CCOCC3)N4C=CC=C4

DOS

IR

Vibrations