Geometry & MOs

Info

ID:	304606
PubChem CID:	124756482
Reduced:	S2N3O3C16H21 (1)
Stoich.:	A2B3C3D16E21 (1)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	-86.82
Dipole, Da:	7.59
IP(EA), eV:	-8.94(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-5-[(3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=CS1)NC(=O)CN(C2=CC=C(C=C2)C)S(=O)(=O)C

DOS

IR

Vibrations