Geometry & MOs

Info

ID:

86370

PubChem CID:

49884657

Reduced:

SN4O5C23H24 (1)

Stoich.:

AB4C5D23E24 (1)

Weight, g/mol:

564.150112

ΔHf, kcal/mol:

-116.3

Dipole, Da:

7.37

IP(EA), eV:

 -9.1(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4,5-dimethyl-2-[2-[[5-(3-methyl-2H-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations