Geometry & MOs

Info

ID:

448671

PubChem CID:

135292690

Reduced:

N12O13C42H64 (1)

Stoich.:

A12B13C42D64 (1)

Weight, g/mol:

415.08359

ΔHf, kcal/mol:

-546.42

Dipole, Da:

4.6

IP(EA), eV:

 -8.57(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(1-fluorobutan-2-ylsulfamoyl)-N-(4-fluoro-3-methanimidoylphenyl)-2-methylthiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)NCC(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N

DOS

IR

Vibrations