Geometry & MOs

Info

ID:	86359
PubChem CID:	49884465
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	551.129711
ΔH_f, kcal/mol:	-5.42
Dipole, Da:	6.13
IP(EA), eV:	-8.94(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[[5-(3-methyl-2H-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CC1(COC2=CC=CC=C2O1)C3=NN=C(N3CC=C)SCC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations