Geometry & MOs

Info

ID:	86377
PubChem CID:	49884765
Reduced:	ClSN4O4C23H25 (1)
Stoich.:	ABC4D4E23F25 (1)
Weight, g/mol:	431.108582
ΔH_f, kcal/mol:	-76.46
Dipole, Da:	4.65
IP(EA), eV:	-8.44(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-methyl-5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=NN=C(N2C)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations