Geometry & MOs

Info

ID:	86380
PubChem CID:	49884769
Reduced:	SN4O5C23H24 (1)
Stoich.:	AB4C5D23E24 (1)
Weight, g/mol:	587.129711
ΔH_f, kcal/mol:	-117.46
Dipole, Da:	4.43
IP(EA), eV:	-8.91(-1.1)
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-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations