Geometry & MOs

Info

ID:	131501
PubChem CID:	51215059
Reduced:	ClN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-130.52
Dipole, Da:	3.1
IP(EA), eV:	-9.56(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC(=O)N2CCCCCCC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations