Geometry & MOs

Info

ID:	175644
PubChem CID:	75930251
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	454.07455
ΔH_f, kcal/mol:	-99.34
Dipole, Da:	3.12
IP(EA), eV:	-8.6(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide

Drug info:

PubChemData

Smile

CC(CN(CC1NC2C(C3=C(S2)CCC3)C(=O)N1)CC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations