Geometry & MOs

Info

ID:	86182
PubChem CID:	49882418
Reduced:	S2N5O6C24H27 (1)
Stoich.:	A2B5C6D24E27 (1)
Weight, g/mol:	468.183127
ΔH_f, kcal/mol:	-142.75
Dipole, Da:	3.03
IP(EA), eV:	-8.91(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C)SCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

DOS

IR

Vibrations