Geometry & MOs

Info

ID:

86444

PubChem CID:

49885587

Reduced:

S2O3N4H26C28 (1)

Stoich.:

A2B3C4D26E28 (1)

Weight, g/mol:

576.150112

ΔHf, kcal/mol:

25.21

Dipole, Da:

4.41

IP(EA), eV:

 -8.59(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3CC=C)SCC(=O)NC4=CC=CC=C4SC5=CC=CC=C5

DOS

IR

Vibrations