Geometry & MOs

Info

ID:

86344

PubChem CID:

49884248

Reduced:

SN4O5C23H24 (1)

Stoich.:

AB4C5D23E24 (1)

Weight, g/mol:

574.155592

ΔHf, kcal/mol:

-112.49

Dipole, Da:

2.75

IP(EA), eV:

 -9.07(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diethyl 5-[[2-[[4-ethyl-5-(3-methyl-2H-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NN=C(N2C)C3(COC4=CC=CC=C4O3)C

DOS

IR

Vibrations