Geometry & MOs

Info

ID:	356302
PubChem CID:	127291375
Reduced:	SO2N5C19H29 (1)
Stoich.:	AB2C5D19E29 (1)
Weight, g/mol:	393.219846
ΔH_f, kcal/mol:	-68.45
Dipole, Da:	5.35
IP(EA), eV:	-9.2(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3-dimethylbutanoyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CC(CC2)NC(=O)C3CSCN3C(=O)C4CCCC4

DOS

IR

Vibrations