Geometry & MOs

Info

ID:

310528

PubChem CID:

126581605

Reduced:

S2N3O6C23H23 (1)

Stoich.:

A2B3C6D23E23 (1)

Weight, g/mol:

528.150112

ΔHf, kcal/mol:

-208.28

Dipole, Da:

4.63

IP(EA), eV:

 -8.66(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[5-(dimethylcarbamoyl)-4-methyl-2-pyrrol-1-ylthiophene-3-carbonyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC(=O)C3=C(SC(=C3C)C(=O)O)N4C=CC=C4

DOS

IR

Vibrations